USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 713 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 GLN : amide:sc= -5.02! C(o=-9.4!,f=-18!) USER MOD Set 1.2: A 48 ASN : amide:sc= -4.43! C(o=-9.4!,f=-18!) USER MOD Single : A 4 THR OG1 : rot 14:sc= -0.231! USER MOD Single : A 6 THR OG1 : rot -81:sc= 1.08 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 32:sc= 0.0612 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.00803 USER MOD Single : A 17 THR OG1 : rot 95:sc= -0.798! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -11.1! C(o=-11!,f=-17!) USER MOD Single : A 30 THR OG1 : rot -160:sc= -3.7! USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 120:sc= -0.182 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -67:sc= -5.3! USER MOD Single : A 60 ASN : amide:sc= -0.183 K(o=-0.18,f=-2.3!) USER MOD Single : A 62 SER OG : rot 8:sc= -0.0927 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0132 USER MOD Single : A 65 THR OG1 : rot 90:sc= -0.159 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -177:sc= -5.64! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -136:sc= -2.8! USER MOD Single : A 89 THR OG1 : rot -36:sc= -0.0634 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN :FLIP amide:sc= -0.752 F(o=-1.7,f=-0.75) USER MOD Single : A 111 SER OG : rot 180:sc= -0.0552 USER MOD ----------------------------------------------------------------- ATOM 21 N PRO A 3 -10.115 -3.383 10.094 1.00 0.00 N ATOM 22 CA PRO A 3 -9.668 -1.999 10.127 1.00 0.00 C ATOM 23 C PRO A 3 -9.355 -1.493 8.716 1.00 0.00 C ATOM 24 O PRO A 3 -8.238 -1.656 8.228 1.00 0.00 O ATOM 25 CB PRO A 3 -8.454 -2.002 11.042 1.00 0.00 C ATOM 26 CG PRO A 3 -7.989 -3.447 11.114 1.00 0.00 C ATOM 27 CD PRO A 3 -9.098 -4.323 10.555 1.00 0.00 C ATOM 0 HA PRO A 3 -10.430 -1.316 10.502 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.667 -1.358 10.649 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.710 -1.625 12.032 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -7.071 -3.581 10.541 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -7.766 -3.725 12.144 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -8.736 -4.947 9.738 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -9.495 -4.994 11.317 1.00 0.00 H new ATOM 35 N THR A 4 -10.363 -0.886 8.106 1.00 0.00 N ATOM 36 CA THR A 4 -10.209 -0.352 6.763 1.00 0.00 C ATOM 37 C THR A 4 -9.533 -1.381 5.854 1.00 0.00 C ATOM 38 O THR A 4 -9.540 -2.575 6.149 1.00 0.00 O ATOM 39 CB THR A 4 -9.440 0.967 6.864 1.00 0.00 C ATOM 40 OG1 THR A 4 -8.122 0.573 7.231 1.00 0.00 O ATOM 41 CG2 THR A 4 -9.912 1.833 8.034 1.00 0.00 C ATOM 0 H THR A 4 -11.287 -0.752 8.516 1.00 0.00 H new ATOM 0 HA THR A 4 -11.177 -0.147 6.306 1.00 0.00 H new ATOM 0 HB THR A 4 -9.552 1.524 5.934 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.020 -0.393 7.099 1.00 0.00 H new ATOM 0 HG21 THR A 4 -9.334 2.757 8.060 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.969 2.070 7.908 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.771 1.290 8.969 1.00 0.00 H new ATOM 49 N ALA A 5 -8.967 -0.881 4.766 1.00 0.00 N ATOM 50 CA ALA A 5 -8.288 -1.742 3.811 1.00 0.00 C ATOM 51 C ALA A 5 -7.153 -2.486 4.520 1.00 0.00 C ATOM 52 O ALA A 5 -6.191 -1.869 4.974 1.00 0.00 O ATOM 53 CB ALA A 5 -7.791 -0.904 2.632 1.00 0.00 C ATOM 0 H ALA A 5 -8.964 0.110 4.524 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.973 -2.490 3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.282 -1.549 1.916 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.639 -0.421 2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.098 -0.144 2.992 1.00 0.00 H new ATOM 59 N THR A 6 -7.305 -3.800 4.589 1.00 0.00 N ATOM 60 CA THR A 6 -6.304 -4.634 5.234 1.00 0.00 C ATOM 61 C THR A 6 -6.100 -5.927 4.443 1.00 0.00 C ATOM 62 O THR A 6 -7.045 -6.466 3.870 1.00 0.00 O ATOM 63 CB THR A 6 -6.745 -4.869 6.679 1.00 0.00 C ATOM 64 OG1 THR A 6 -8.170 -4.890 6.610 1.00 0.00 O ATOM 65 CG2 THR A 6 -6.436 -3.677 7.587 1.00 0.00 C ATOM 0 H THR A 6 -8.104 -4.308 4.210 1.00 0.00 H new ATOM 0 HA THR A 6 -5.331 -4.143 5.252 1.00 0.00 H new ATOM 0 HB THR A 6 -6.252 -5.760 7.067 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.510 -3.971 6.585 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.769 -3.896 8.601 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.362 -3.491 7.590 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.956 -2.793 7.217 1.00 0.00 H new ATOM 73 N VAL A 7 -4.858 -6.389 4.438 1.00 0.00 N ATOM 74 CA VAL A 7 -4.517 -7.610 3.727 1.00 0.00 C ATOM 75 C VAL A 7 -4.919 -8.819 4.576 1.00 0.00 C ATOM 76 O VAL A 7 -4.590 -8.887 5.759 1.00 0.00 O ATOM 77 CB VAL A 7 -3.031 -7.604 3.359 1.00 0.00 C ATOM 78 CG1 VAL A 7 -2.721 -8.672 2.308 1.00 0.00 C ATOM 79 CG2 VAL A 7 -2.589 -6.219 2.884 1.00 0.00 C ATOM 0 H VAL A 7 -4.076 -5.940 4.915 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.070 -7.673 2.790 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.463 -7.846 4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.659 -8.646 2.065 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.979 -9.655 2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.304 -8.477 1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.529 -6.243 2.629 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.167 -5.934 2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.755 -5.492 3.679 1.00 0.00 H new ATOM 89 N THR A 8 -5.622 -9.742 3.936 1.00 0.00 N ATOM 90 CA THR A 8 -6.071 -10.945 4.617 1.00 0.00 C ATOM 91 C THR A 8 -4.987 -11.455 5.568 1.00 0.00 C ATOM 92 O THR A 8 -5.199 -11.523 6.778 1.00 0.00 O ATOM 93 CB THR A 8 -6.476 -11.967 3.553 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.902 -11.921 3.554 1.00 0.00 O ATOM 95 CG2 THR A 8 -6.149 -13.403 3.965 1.00 0.00 C ATOM 0 H THR A 8 -5.892 -9.681 2.954 1.00 0.00 H new ATOM 0 HA THR A 8 -6.940 -10.744 5.243 1.00 0.00 H new ATOM 0 HB THR A 8 -5.970 -11.735 2.616 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.250 -12.553 2.891 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.457 -14.087 3.174 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.076 -13.499 4.130 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.681 -13.648 4.884 1.00 0.00 H new ATOM 103 N PRO A 9 -3.819 -11.811 4.970 1.00 0.00 N ATOM 104 CA PRO A 9 -2.702 -12.314 5.751 1.00 0.00 C ATOM 105 C PRO A 9 -2.009 -11.180 6.511 1.00 0.00 C ATOM 106 O PRO A 9 -2.621 -10.152 6.792 1.00 0.00 O ATOM 107 CB PRO A 9 -1.793 -12.995 4.742 1.00 0.00 C ATOM 108 CG PRO A 9 -2.194 -12.450 3.381 1.00 0.00 C ATOM 109 CD PRO A 9 -3.531 -11.744 3.540 1.00 0.00 C ATOM 0 HA PRO A 9 -3.012 -13.015 6.526 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.745 -12.782 4.954 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.911 -14.078 4.779 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.438 -11.758 3.009 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.273 -13.258 2.654 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.477 -10.711 3.195 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.310 -12.235 2.956 1.00 0.00 H new ATOM 117 N SER A 10 -0.740 -11.406 6.819 1.00 0.00 N ATOM 118 CA SER A 10 0.044 -10.415 7.539 1.00 0.00 C ATOM 119 C SER A 10 1.523 -10.554 7.175 1.00 0.00 C ATOM 120 O SER A 10 2.248 -9.561 7.120 1.00 0.00 O ATOM 121 CB SER A 10 -0.147 -10.556 9.050 1.00 0.00 C ATOM 122 OG SER A 10 -1.176 -9.702 9.540 1.00 0.00 O ATOM 0 H SER A 10 -0.235 -12.260 6.583 1.00 0.00 H new ATOM 0 HA SER A 10 -0.303 -9.424 7.247 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.390 -11.591 9.290 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.789 -10.323 9.557 1.00 0.00 H new ATOM 0 HG SER A 10 -1.866 -9.594 8.853 1.00 0.00 H new ATOM 128 N SER A 11 1.929 -11.793 6.937 1.00 0.00 N ATOM 129 CA SER A 11 3.310 -12.073 6.580 1.00 0.00 C ATOM 130 C SER A 11 3.518 -11.851 5.082 1.00 0.00 C ATOM 131 O SER A 11 4.249 -12.600 4.436 1.00 0.00 O ATOM 132 CB SER A 11 3.698 -13.503 6.966 1.00 0.00 C ATOM 133 OG SER A 11 5.060 -13.593 7.375 1.00 0.00 O ATOM 0 H SER A 11 1.326 -12.614 6.984 1.00 0.00 H new ATOM 0 HA SER A 11 3.953 -11.389 7.133 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.053 -13.848 7.774 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.529 -14.166 6.118 1.00 0.00 H new ATOM 0 HG SER A 11 5.269 -14.520 7.615 1.00 0.00 H new ATOM 139 N GLY A 12 2.861 -10.821 4.572 1.00 0.00 N ATOM 140 CA GLY A 12 2.966 -10.491 3.161 1.00 0.00 C ATOM 141 C GLY A 12 4.073 -9.462 2.917 1.00 0.00 C ATOM 142 O GLY A 12 4.087 -8.794 1.886 1.00 0.00 O ATOM 0 H GLY A 12 2.254 -10.203 5.110 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.172 -11.395 2.587 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.014 -10.097 2.805 1.00 0.00 H new ATOM 146 N LEU A 13 4.972 -9.369 3.885 1.00 0.00 N ATOM 147 CA LEU A 13 6.079 -8.433 3.790 1.00 0.00 C ATOM 148 C LEU A 13 6.532 -8.332 2.332 1.00 0.00 C ATOM 149 O LEU A 13 6.707 -7.233 1.808 1.00 0.00 O ATOM 150 CB LEU A 13 7.199 -8.829 4.754 1.00 0.00 C ATOM 151 CG LEU A 13 7.563 -10.316 4.787 1.00 0.00 C ATOM 152 CD1 LEU A 13 8.639 -10.639 3.749 1.00 0.00 C ATOM 153 CD2 LEU A 13 7.978 -10.748 6.194 1.00 0.00 C ATOM 0 H LEU A 13 4.957 -9.926 4.739 1.00 0.00 H new ATOM 0 HA LEU A 13 5.762 -7.436 4.096 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.093 -8.262 4.493 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.910 -8.524 5.760 1.00 0.00 H new ATOM 0 HG LEU A 13 6.676 -10.891 4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.880 -11.701 3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.270 -10.391 2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.535 -10.055 3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.231 -11.808 6.189 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.845 -10.169 6.511 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.154 -10.575 6.886 1.00 0.00 H new ATOM 165 N SER A 14 6.705 -9.491 1.718 1.00 0.00 N ATOM 166 CA SER A 14 7.134 -9.548 0.330 1.00 0.00 C ATOM 167 C SER A 14 6.674 -10.861 -0.308 1.00 0.00 C ATOM 168 O SER A 14 5.488 -11.181 -0.293 1.00 0.00 O ATOM 169 CB SER A 14 8.653 -9.405 0.217 1.00 0.00 C ATOM 170 OG SER A 14 9.067 -9.166 -1.127 1.00 0.00 O ATOM 0 H SER A 14 6.556 -10.400 2.156 1.00 0.00 H new ATOM 0 HA SER A 14 6.677 -8.714 -0.203 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.988 -8.585 0.851 1.00 0.00 H new ATOM 0 HB3 SER A 14 9.131 -10.311 0.588 1.00 0.00 H new ATOM 0 HG SER A 14 10.043 -9.079 -1.158 1.00 0.00 H new ATOM 176 N ASP A 15 7.639 -11.587 -0.853 1.00 0.00 N ATOM 177 CA ASP A 15 7.349 -12.857 -1.494 1.00 0.00 C ATOM 178 C ASP A 15 6.084 -12.718 -2.344 1.00 0.00 C ATOM 179 O ASP A 15 5.300 -13.658 -2.456 1.00 0.00 O ATOM 180 CB ASP A 15 7.103 -13.955 -0.456 1.00 0.00 C ATOM 181 CG ASP A 15 8.127 -15.090 -0.461 1.00 0.00 C ATOM 182 OD1 ASP A 15 8.443 -15.566 -1.573 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.571 -15.459 0.648 1.00 0.00 O ATOM 0 H ASP A 15 8.623 -11.319 -0.864 1.00 0.00 H new ATOM 0 HA ASP A 15 8.207 -13.128 -2.109 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.091 -13.501 0.535 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.113 -14.378 -0.625 1.00 0.00 H new ATOM 189 N GLY A 16 5.925 -11.536 -2.920 1.00 0.00 N ATOM 190 CA GLY A 16 4.769 -11.259 -3.756 1.00 0.00 C ATOM 191 C GLY A 16 3.512 -11.925 -3.190 1.00 0.00 C ATOM 192 O GLY A 16 2.846 -12.692 -3.882 1.00 0.00 O ATOM 0 H GLY A 16 6.578 -10.758 -2.824 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.615 -10.182 -3.825 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.952 -11.620 -4.768 1.00 0.00 H new ATOM 196 N THR A 17 3.225 -11.604 -1.937 1.00 0.00 N ATOM 197 CA THR A 17 2.062 -12.163 -1.270 1.00 0.00 C ATOM 198 C THR A 17 0.778 -11.594 -1.877 1.00 0.00 C ATOM 199 O THR A 17 0.420 -10.444 -1.622 1.00 0.00 O ATOM 200 CB THR A 17 2.198 -11.885 0.229 1.00 0.00 C ATOM 201 OG1 THR A 17 3.574 -12.134 0.503 1.00 0.00 O ATOM 202 CG2 THR A 17 1.456 -12.913 1.084 1.00 0.00 C ATOM 0 H THR A 17 3.778 -10.964 -1.367 1.00 0.00 H new ATOM 0 HA THR A 17 2.004 -13.242 -1.412 1.00 0.00 H new ATOM 0 HB THR A 17 1.818 -10.887 0.450 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.075 -11.293 0.454 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.585 -12.670 2.139 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.395 -12.896 0.834 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.859 -13.907 0.889 1.00 0.00 H new ATOM 210 N VAL A 18 0.118 -12.425 -2.668 1.00 0.00 N ATOM 211 CA VAL A 18 -1.120 -12.022 -3.315 1.00 0.00 C ATOM 212 C VAL A 18 -2.308 -12.472 -2.461 1.00 0.00 C ATOM 213 O VAL A 18 -2.457 -13.659 -2.175 1.00 0.00 O ATOM 214 CB VAL A 18 -1.169 -12.570 -4.742 1.00 0.00 C ATOM 215 CG1 VAL A 18 -2.262 -11.877 -5.558 1.00 0.00 C ATOM 216 CG2 VAL A 18 0.194 -12.438 -5.426 1.00 0.00 C ATOM 0 H VAL A 18 0.417 -13.378 -2.877 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.171 -10.936 -3.397 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.415 -13.630 -4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.276 -12.285 -6.569 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.230 -12.045 -5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.060 -10.807 -5.602 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.133 -12.835 -6.439 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.482 -11.387 -5.465 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.940 -12.998 -4.862 1.00 0.00 H new ATOM 226 N VAL A 19 -3.123 -11.499 -2.079 1.00 0.00 N ATOM 227 CA VAL A 19 -4.292 -11.782 -1.261 1.00 0.00 C ATOM 228 C VAL A 19 -5.370 -10.735 -1.546 1.00 0.00 C ATOM 229 O VAL A 19 -5.267 -9.977 -2.510 1.00 0.00 O ATOM 230 CB VAL A 19 -3.896 -11.846 0.214 1.00 0.00 C ATOM 231 CG1 VAL A 19 -3.558 -13.281 0.628 1.00 0.00 C ATOM 232 CG2 VAL A 19 -2.732 -10.901 0.513 1.00 0.00 C ATOM 0 H VAL A 19 -2.998 -10.516 -2.320 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.709 -12.757 -1.513 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.752 -11.518 0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.279 -13.300 1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.428 -13.919 0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.726 -13.647 0.026 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.472 -10.967 1.569 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.870 -11.183 -0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.023 -9.878 0.275 1.00 0.00 H new ATOM 242 N LYS A 20 -6.382 -10.726 -0.690 1.00 0.00 N ATOM 243 CA LYS A 20 -7.478 -9.782 -0.835 1.00 0.00 C ATOM 244 C LYS A 20 -7.375 -8.713 0.252 1.00 0.00 C ATOM 245 O LYS A 20 -7.031 -9.015 1.394 1.00 0.00 O ATOM 246 CB LYS A 20 -8.819 -10.519 -0.848 1.00 0.00 C ATOM 247 CG LYS A 20 -8.763 -11.744 -1.763 1.00 0.00 C ATOM 248 CD LYS A 20 -10.101 -11.962 -2.472 1.00 0.00 C ATOM 249 CE LYS A 20 -10.686 -13.334 -2.132 1.00 0.00 C ATOM 250 NZ LYS A 20 -12.134 -13.224 -1.850 1.00 0.00 N ATOM 0 H LYS A 20 -6.466 -11.358 0.107 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.412 -9.267 -1.793 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.078 -10.829 0.165 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.606 -9.844 -1.186 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.973 -11.614 -2.502 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.510 -12.628 -1.178 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.803 -11.181 -2.179 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.963 -11.879 -3.550 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.522 -14.022 -2.962 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.171 -13.751 -1.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.515 -14.164 -1.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.283 -12.584 -1.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.623 -12.846 -2.687 1.00 0.00 H new ATOM 264 N VAL A 21 -7.678 -7.485 -0.139 1.00 0.00 N ATOM 265 CA VAL A 21 -7.624 -6.368 0.788 1.00 0.00 C ATOM 266 C VAL A 21 -9.036 -5.816 0.999 1.00 0.00 C ATOM 267 O VAL A 21 -9.566 -5.115 0.139 1.00 0.00 O ATOM 268 CB VAL A 21 -6.639 -5.313 0.282 1.00 0.00 C ATOM 269 CG1 VAL A 21 -6.720 -4.038 1.122 1.00 0.00 C ATOM 270 CG2 VAL A 21 -5.212 -5.865 0.256 1.00 0.00 C ATOM 0 H VAL A 21 -7.962 -7.238 -1.087 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.255 -6.697 1.759 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.918 -5.057 -0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.009 -3.305 0.740 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.729 -3.629 1.066 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.480 -4.270 2.160 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.531 -5.096 -0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.919 -6.163 1.263 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.169 -6.730 -0.406 1.00 0.00 H new ATOM 280 N ALA A 22 -9.604 -6.152 2.148 1.00 0.00 N ATOM 281 CA ALA A 22 -10.943 -5.698 2.481 1.00 0.00 C ATOM 282 C ALA A 22 -10.857 -4.347 3.197 1.00 0.00 C ATOM 283 O ALA A 22 -10.133 -4.209 4.179 1.00 0.00 O ATOM 284 CB ALA A 22 -11.645 -6.761 3.329 1.00 0.00 C ATOM 0 H ALA A 22 -9.161 -6.733 2.860 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.535 -5.555 1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.650 -6.421 3.579 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.707 -7.693 2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.079 -6.927 4.246 1.00 0.00 H new ATOM 290 N GLY A 23 -11.605 -3.389 2.672 1.00 0.00 N ATOM 291 CA GLY A 23 -11.621 -2.053 3.248 1.00 0.00 C ATOM 292 C GLY A 23 -12.959 -1.769 3.934 1.00 0.00 C ATOM 293 O GLY A 23 -13.912 -1.341 3.290 1.00 0.00 O ATOM 0 H GLY A 23 -12.204 -3.509 1.855 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.810 -1.954 3.969 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.444 -1.314 2.467 1.00 0.00 H new ATOM 297 N ALA A 24 -12.983 -2.022 5.235 1.00 0.00 N ATOM 298 CA ALA A 24 -14.187 -1.800 6.017 1.00 0.00 C ATOM 299 C ALA A 24 -14.169 -0.375 6.580 1.00 0.00 C ATOM 300 O ALA A 24 -13.367 -0.062 7.456 1.00 0.00 O ATOM 301 CB ALA A 24 -14.286 -2.859 7.117 1.00 0.00 C ATOM 0 H ALA A 24 -12.188 -2.378 5.766 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.074 -1.897 5.391 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.190 -2.691 7.703 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.325 -3.850 6.665 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.414 -2.791 7.767 1.00 0.00 H new ATOM 307 N GLY A 25 -15.063 0.446 6.051 1.00 0.00 N ATOM 308 CA GLY A 25 -15.159 1.827 6.488 1.00 0.00 C ATOM 309 C GLY A 25 -14.109 2.700 5.794 1.00 0.00 C ATOM 310 O GLY A 25 -13.613 3.663 6.374 1.00 0.00 O ATOM 0 H GLY A 25 -15.727 0.181 5.324 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -16.156 2.211 6.272 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.024 1.880 7.568 1.00 0.00 H new ATOM 314 N LEU A 26 -13.802 2.328 4.559 1.00 0.00 N ATOM 315 CA LEU A 26 -12.821 3.061 3.779 1.00 0.00 C ATOM 316 C LEU A 26 -13.543 4.008 2.819 1.00 0.00 C ATOM 317 O LEU A 26 -14.521 4.652 3.197 1.00 0.00 O ATOM 318 CB LEU A 26 -11.859 2.095 3.083 1.00 0.00 C ATOM 319 CG LEU A 26 -10.450 2.628 2.818 1.00 0.00 C ATOM 320 CD1 LEU A 26 -9.783 3.087 4.116 1.00 0.00 C ATOM 321 CD2 LEU A 26 -9.603 1.592 2.075 1.00 0.00 C ATOM 0 H LEU A 26 -14.216 1.528 4.080 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.201 3.678 4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.777 1.194 3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.299 1.798 2.131 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.532 3.502 2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.783 3.461 3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.377 3.881 4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.714 2.246 4.806 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.606 1.996 1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.527 0.686 2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.072 1.355 1.120 1.00 0.00 H new ATOM 333 N GLN A 27 -13.034 4.063 1.598 1.00 0.00 N ATOM 334 CA GLN A 27 -13.619 4.922 0.582 1.00 0.00 C ATOM 335 C GLN A 27 -15.121 4.659 0.465 1.00 0.00 C ATOM 336 O GLN A 27 -15.546 3.802 -0.307 1.00 0.00 O ATOM 337 CB GLN A 27 -12.922 4.730 -0.767 1.00 0.00 C ATOM 338 CG GLN A 27 -11.660 5.588 -0.860 1.00 0.00 C ATOM 339 CD GLN A 27 -10.752 5.362 0.350 1.00 0.00 C ATOM 340 OE1 GLN A 27 -9.881 4.505 0.354 1.00 0.00 O ATOM 341 NE2 GLN A 27 -11.000 6.173 1.372 1.00 0.00 N ATOM 0 H GLN A 27 -12.223 3.527 1.289 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.474 5.959 0.884 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -12.662 3.680 -0.900 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.605 4.994 -1.574 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.119 5.347 -1.775 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.936 6.641 -0.921 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.743 6.868 1.303 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.447 6.101 2.226 1.00 0.00 H new ATOM 350 N ALA A 28 -15.884 5.412 1.244 1.00 0.00 N ATOM 351 CA ALA A 28 -17.330 5.271 1.239 1.00 0.00 C ATOM 352 C ALA A 28 -17.860 5.560 -0.167 1.00 0.00 C ATOM 353 O ALA A 28 -18.274 6.681 -0.461 1.00 0.00 O ATOM 354 CB ALA A 28 -17.937 6.198 2.292 1.00 0.00 C ATOM 0 H ALA A 28 -15.527 6.122 1.883 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.618 4.252 1.498 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.022 6.092 2.288 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.550 5.933 3.276 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.672 7.230 2.064 1.00 0.00 H new ATOM 360 N GLY A 29 -17.831 4.530 -1.000 1.00 0.00 N ATOM 361 CA GLY A 29 -18.305 4.659 -2.367 1.00 0.00 C ATOM 362 C GLY A 29 -17.315 5.460 -3.216 1.00 0.00 C ATOM 363 O GLY A 29 -17.654 5.911 -4.309 1.00 0.00 O ATOM 0 H GLY A 29 -17.486 3.602 -0.754 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -18.446 3.670 -2.802 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.277 5.151 -2.374 1.00 0.00 H new ATOM 367 N THR A 30 -16.113 5.611 -2.680 1.00 0.00 N ATOM 368 CA THR A 30 -15.073 6.350 -3.375 1.00 0.00 C ATOM 369 C THR A 30 -14.230 5.407 -4.235 1.00 0.00 C ATOM 370 O THR A 30 -14.496 4.206 -4.288 1.00 0.00 O ATOM 371 CB THR A 30 -14.257 7.112 -2.330 1.00 0.00 C ATOM 372 OG1 THR A 30 -14.876 6.777 -1.091 1.00 0.00 O ATOM 373 CG2 THR A 30 -14.435 8.629 -2.437 1.00 0.00 C ATOM 0 H THR A 30 -15.836 5.235 -1.773 1.00 0.00 H new ATOM 0 HA THR A 30 -15.500 7.075 -4.068 1.00 0.00 H new ATOM 0 HB THR A 30 -13.202 6.862 -2.443 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.637 7.445 -0.415 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.834 9.121 -1.672 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.113 8.964 -3.423 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.485 8.883 -2.292 1.00 0.00 H new ATOM 381 N ALA A 31 -13.231 5.983 -4.886 1.00 0.00 N ATOM 382 CA ALA A 31 -12.347 5.207 -5.738 1.00 0.00 C ATOM 383 C ALA A 31 -10.928 5.772 -5.646 1.00 0.00 C ATOM 384 O ALA A 31 -10.629 6.806 -6.240 1.00 0.00 O ATOM 385 CB ALA A 31 -12.885 5.214 -7.172 1.00 0.00 C ATOM 0 H ALA A 31 -13.014 6.979 -4.841 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.310 4.169 -5.407 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.222 4.632 -7.812 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.883 4.775 -7.188 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.934 6.240 -7.537 1.00 0.00 H new ATOM 391 N TYR A 32 -10.094 5.069 -4.895 1.00 0.00 N ATOM 392 CA TYR A 32 -8.713 5.487 -4.715 1.00 0.00 C ATOM 393 C TYR A 32 -7.750 4.480 -5.346 1.00 0.00 C ATOM 394 O TYR A 32 -8.159 3.392 -5.749 1.00 0.00 O ATOM 395 CB TYR A 32 -8.477 5.525 -3.205 1.00 0.00 C ATOM 396 CG TYR A 32 -9.126 6.720 -2.503 1.00 0.00 C ATOM 397 CD1 TYR A 32 -9.836 7.647 -3.238 1.00 0.00 C ATOM 398 CD2 TYR A 32 -9.001 6.869 -1.138 1.00 0.00 C ATOM 399 CE1 TYR A 32 -10.448 8.772 -2.578 1.00 0.00 C ATOM 400 CE2 TYR A 32 -9.612 7.993 -0.478 1.00 0.00 C ATOM 401 CZ TYR A 32 -10.306 8.891 -1.231 1.00 0.00 C ATOM 402 OH TYR A 32 -10.883 9.952 -0.607 1.00 0.00 O ATOM 0 H TYR A 32 -10.347 4.212 -4.403 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.539 6.453 -5.189 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.862 4.605 -2.764 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.404 5.545 -3.016 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.933 7.529 -4.307 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.445 6.143 -0.564 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.007 9.505 -3.141 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.522 8.121 0.591 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.699 9.906 0.354 1.00 0.00 H new ATOM 412 N ASP A 33 -6.488 4.877 -5.410 1.00 0.00 N ATOM 413 CA ASP A 33 -5.462 4.024 -5.984 1.00 0.00 C ATOM 414 C ASP A 33 -4.842 3.166 -4.878 1.00 0.00 C ATOM 415 O ASP A 33 -4.162 3.685 -3.994 1.00 0.00 O ATOM 416 CB ASP A 33 -4.346 4.854 -6.618 1.00 0.00 C ATOM 417 CG ASP A 33 -4.156 4.640 -8.122 1.00 0.00 C ATOM 418 OD1 ASP A 33 -5.048 4.001 -8.722 1.00 0.00 O ATOM 419 OD2 ASP A 33 -3.123 5.121 -8.639 1.00 0.00 O ATOM 0 H ASP A 33 -6.152 5.779 -5.073 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.929 3.404 -6.749 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.552 5.909 -6.439 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.409 4.622 -6.112 1.00 0.00 H new ATOM 425 N VAL A 34 -5.097 1.869 -4.967 1.00 0.00 N ATOM 426 CA VAL A 34 -4.574 0.934 -3.984 1.00 0.00 C ATOM 427 C VAL A 34 -3.075 0.734 -4.227 1.00 0.00 C ATOM 428 O VAL A 34 -2.623 0.732 -5.371 1.00 0.00 O ATOM 429 CB VAL A 34 -5.367 -0.373 -4.032 1.00 0.00 C ATOM 430 CG1 VAL A 34 -4.439 -1.569 -4.255 1.00 0.00 C ATOM 431 CG2 VAL A 34 -6.196 -0.555 -2.760 1.00 0.00 C ATOM 0 H VAL A 34 -5.659 1.443 -5.704 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.691 1.332 -2.976 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.053 -0.319 -4.877 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.028 -2.486 -4.285 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.909 -1.447 -5.200 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.718 -1.627 -3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.751 -1.491 -2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.534 -0.579 -1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.895 0.275 -2.659 1.00 0.00 H new ATOM 441 N GLY A 35 -2.348 0.570 -3.132 1.00 0.00 N ATOM 442 CA GLY A 35 -0.911 0.371 -3.211 1.00 0.00 C ATOM 443 C GLY A 35 -0.265 0.472 -1.828 1.00 0.00 C ATOM 444 O GLY A 35 -0.863 1.012 -0.897 1.00 0.00 O ATOM 0 H GLY A 35 -2.727 0.571 -2.185 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.699 -0.606 -3.644 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.473 1.116 -3.876 1.00 0.00 H new ATOM 448 N GLN A 36 0.944 -0.057 -1.733 1.00 0.00 N ATOM 449 CA GLN A 36 1.677 -0.033 -0.479 1.00 0.00 C ATOM 450 C GLN A 36 2.679 1.121 -0.470 1.00 0.00 C ATOM 451 O GLN A 36 3.697 1.069 -1.160 1.00 0.00 O ATOM 452 CB GLN A 36 2.379 -1.371 -0.227 1.00 0.00 C ATOM 453 CG GLN A 36 1.782 -2.474 -1.104 1.00 0.00 C ATOM 454 CD GLN A 36 2.856 -3.109 -1.991 1.00 0.00 C ATOM 455 OE1 GLN A 36 3.213 -4.266 -1.844 1.00 0.00 O ATOM 456 NE2 GLN A 36 3.347 -2.290 -2.915 1.00 0.00 N ATOM 0 H GLN A 36 1.436 -0.506 -2.505 1.00 0.00 H new ATOM 0 HA GLN A 36 0.965 0.125 0.331 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.444 -1.272 -0.435 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.283 -1.644 0.824 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.327 -3.238 -0.474 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.989 -2.060 -1.727 1.00 0.00 H new ATOM 0 HE21 GLN A 36 3.002 -1.332 -2.983 1.00 0.00 H new ATOM 0 HE22 GLN A 36 4.068 -2.619 -3.557 1.00 0.00 H new ATOM 465 N CYS A 37 2.357 2.138 0.315 1.00 0.00 N ATOM 466 CA CYS A 37 3.217 3.304 0.422 1.00 0.00 C ATOM 467 C CYS A 37 3.890 3.281 1.795 1.00 0.00 C ATOM 468 O CYS A 37 3.345 2.724 2.748 1.00 0.00 O ATOM 469 CB CYS A 37 2.441 4.603 0.189 1.00 0.00 C ATOM 470 SG CYS A 37 3.437 5.981 -0.489 1.00 0.00 S ATOM 0 H CYS A 37 1.511 2.179 0.884 1.00 0.00 H new ATOM 0 HA CYS A 37 3.980 3.268 -0.356 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.616 4.399 -0.494 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.001 4.922 1.134 1.00 0.00 H new ATOM 475 N ALA A 38 5.064 3.892 1.856 1.00 0.00 N ATOM 476 CA ALA A 38 5.817 3.950 3.098 1.00 0.00 C ATOM 477 C ALA A 38 7.027 4.866 2.912 1.00 0.00 C ATOM 478 O ALA A 38 7.392 5.201 1.786 1.00 0.00 O ATOM 479 CB ALA A 38 6.214 2.532 3.516 1.00 0.00 C ATOM 0 H ALA A 38 5.513 4.352 1.064 1.00 0.00 H new ATOM 0 HA ALA A 38 5.209 4.369 3.900 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.779 2.572 4.447 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.316 1.931 3.662 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.830 2.082 2.737 1.00 0.00 H new ATOM 485 N TRP A 39 7.618 5.246 4.035 1.00 0.00 N ATOM 486 CA TRP A 39 8.781 6.118 4.011 1.00 0.00 C ATOM 487 C TRP A 39 10.000 5.268 3.655 1.00 0.00 C ATOM 488 O TRP A 39 10.358 4.348 4.390 1.00 0.00 O ATOM 489 CB TRP A 39 8.936 6.859 5.342 1.00 0.00 C ATOM 490 CG TRP A 39 7.633 7.004 6.130 1.00 0.00 C ATOM 491 CD1 TRP A 39 7.049 6.104 6.932 1.00 0.00 C ATOM 492 CD2 TRP A 39 6.771 8.161 6.160 1.00 0.00 C ATOM 493 NE1 TRP A 39 5.878 6.593 7.474 1.00 0.00 N ATOM 494 CE2 TRP A 39 5.703 7.884 6.990 1.00 0.00 C ATOM 495 CE3 TRP A 39 6.890 9.401 5.508 1.00 0.00 C ATOM 496 CZ2 TRP A 39 4.674 8.797 7.244 1.00 0.00 C ATOM 497 CZ3 TRP A 39 5.851 10.302 5.771 1.00 0.00 C ATOM 498 CH2 TRP A 39 4.769 10.038 6.605 1.00 0.00 C ATOM 0 H TRP A 39 7.314 4.966 4.968 1.00 0.00 H new ATOM 0 HA TRP A 39 8.667 6.896 3.256 1.00 0.00 H new ATOM 0 HB2 TRP A 39 9.664 6.330 5.958 1.00 0.00 H new ATOM 0 HB3 TRP A 39 9.343 7.851 5.148 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.445 5.119 7.130 1.00 0.00 H new ATOM 0 HE1 TRP A 39 5.255 6.098 8.112 1.00 0.00 H new ATOM 0 HE3 TRP A 39 7.717 9.640 4.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 3.850 8.557 7.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 5.892 11.270 5.293 1.00 0.00 H new ATOM 0 HH2 TRP A 39 4.006 10.787 6.758 1.00 0.00 H new ATOM 509 N VAL A 40 10.607 5.606 2.527 1.00 0.00 N ATOM 510 CA VAL A 40 11.780 4.884 2.062 1.00 0.00 C ATOM 511 C VAL A 40 13.020 5.756 2.261 1.00 0.00 C ATOM 512 O VAL A 40 14.033 5.292 2.782 1.00 0.00 O ATOM 513 CB VAL A 40 11.584 4.446 0.610 1.00 0.00 C ATOM 514 CG1 VAL A 40 12.035 5.542 -0.360 1.00 0.00 C ATOM 515 CG2 VAL A 40 12.317 3.132 0.329 1.00 0.00 C ATOM 0 H VAL A 40 10.309 6.370 1.921 1.00 0.00 H new ATOM 0 HA VAL A 40 11.925 3.974 2.644 1.00 0.00 H new ATOM 0 HB VAL A 40 10.519 4.276 0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.885 5.205 -1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.450 6.445 -0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.091 5.757 -0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.161 2.843 -0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.383 3.264 0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.929 2.352 0.984 1.00 0.00 H new ATOM 525 N ASP A 41 12.902 7.005 1.836 1.00 0.00 N ATOM 526 CA ASP A 41 14.001 7.948 1.961 1.00 0.00 C ATOM 527 C ASP A 41 13.924 8.636 3.325 1.00 0.00 C ATOM 528 O ASP A 41 13.074 8.299 4.147 1.00 0.00 O ATOM 529 CB ASP A 41 13.929 9.026 0.881 1.00 0.00 C ATOM 530 CG ASP A 41 15.068 8.999 -0.140 1.00 0.00 C ATOM 531 OD1 ASP A 41 14.952 9.743 -1.139 1.00 0.00 O ATOM 532 OD2 ASP A 41 16.026 8.235 0.100 1.00 0.00 O ATOM 0 H ASP A 41 12.061 7.387 1.404 1.00 0.00 H new ATOM 0 HA ASP A 41 14.934 7.394 1.853 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.983 8.923 0.349 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.918 10.003 1.365 1.00 0.00 H new ATOM 538 N THR A 42 14.821 9.591 3.523 1.00 0.00 N ATOM 539 CA THR A 42 14.866 10.330 4.772 1.00 0.00 C ATOM 540 C THR A 42 13.474 10.856 5.129 1.00 0.00 C ATOM 541 O THR A 42 13.088 11.944 4.704 1.00 0.00 O ATOM 542 CB THR A 42 15.914 11.437 4.630 1.00 0.00 C ATOM 543 OG1 THR A 42 17.147 10.732 4.513 1.00 0.00 O ATOM 544 CG2 THR A 42 16.074 12.260 5.910 1.00 0.00 C ATOM 0 H THR A 42 15.523 9.870 2.838 1.00 0.00 H new ATOM 0 HA THR A 42 15.161 9.687 5.601 1.00 0.00 H new ATOM 0 HB THR A 42 15.637 12.097 3.808 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.882 11.373 4.415 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.829 13.031 5.755 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.123 12.729 6.162 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.384 11.607 6.726 1.00 0.00 H new ATOM 552 N GLY A 43 12.758 10.058 5.909 1.00 0.00 N ATOM 553 CA GLY A 43 11.416 10.430 6.328 1.00 0.00 C ATOM 554 C GLY A 43 10.568 10.867 5.132 1.00 0.00 C ATOM 555 O GLY A 43 9.594 11.598 5.293 1.00 0.00 O ATOM 0 H GLY A 43 13.081 9.157 6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.940 9.586 6.826 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.470 11.240 7.055 1.00 0.00 H new ATOM 559 N VAL A 44 10.972 10.399 3.960 1.00 0.00 N ATOM 560 CA VAL A 44 10.260 10.735 2.737 1.00 0.00 C ATOM 561 C VAL A 44 9.314 9.589 2.372 1.00 0.00 C ATOM 562 O VAL A 44 9.759 8.472 2.105 1.00 0.00 O ATOM 563 CB VAL A 44 11.260 11.063 1.624 1.00 0.00 C ATOM 564 CG1 VAL A 44 10.553 11.187 0.272 1.00 0.00 C ATOM 565 CG2 VAL A 44 12.046 12.333 1.951 1.00 0.00 C ATOM 0 H VAL A 44 11.781 9.791 3.831 1.00 0.00 H new ATOM 0 HA VAL A 44 9.650 11.627 2.882 1.00 0.00 H new ATOM 0 HB VAL A 44 11.970 10.239 1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.285 11.420 -0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.059 10.245 0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.811 11.984 0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.749 12.544 1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.356 13.170 2.059 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.594 12.192 2.883 1.00 0.00 H new ATOM 575 N LEU A 45 8.027 9.904 2.371 1.00 0.00 N ATOM 576 CA LEU A 45 7.015 8.916 2.044 1.00 0.00 C ATOM 577 C LEU A 45 7.107 8.573 0.557 1.00 0.00 C ATOM 578 O LEU A 45 6.696 9.361 -0.293 1.00 0.00 O ATOM 579 CB LEU A 45 5.631 9.400 2.480 1.00 0.00 C ATOM 580 CG LEU A 45 4.575 8.313 2.693 1.00 0.00 C ATOM 581 CD1 LEU A 45 3.892 8.472 4.052 1.00 0.00 C ATOM 582 CD2 LEU A 45 3.565 8.296 1.544 1.00 0.00 C ATOM 0 H LEU A 45 7.662 10.831 2.592 1.00 0.00 H new ATOM 0 HA LEU A 45 7.191 7.993 2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.740 9.960 3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.259 10.098 1.730 1.00 0.00 H new ATOM 0 HG LEU A 45 5.077 7.346 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.146 7.687 4.178 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.637 8.396 4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.406 9.446 4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.826 7.514 1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.064 9.262 1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.084 8.099 0.606 1.00 0.00 H new ATOM 594 N ALA A 46 7.647 7.393 0.285 1.00 0.00 N ATOM 595 CA ALA A 46 7.797 6.936 -1.085 1.00 0.00 C ATOM 596 C ALA A 46 6.889 5.726 -1.317 1.00 0.00 C ATOM 597 O ALA A 46 6.838 4.817 -0.490 1.00 0.00 O ATOM 598 CB ALA A 46 9.270 6.621 -1.362 1.00 0.00 C ATOM 0 H ALA A 46 7.986 6.740 0.992 1.00 0.00 H new ATOM 0 HA ALA A 46 7.494 7.715 -1.784 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.382 6.278 -2.391 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.869 7.519 -1.212 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.610 5.841 -0.681 1.00 0.00 H new ATOM 604 N CYS A 47 6.196 5.755 -2.446 1.00 0.00 N ATOM 605 CA CYS A 47 5.291 4.671 -2.796 1.00 0.00 C ATOM 606 C CYS A 47 6.024 3.728 -3.753 1.00 0.00 C ATOM 607 O CYS A 47 6.963 4.136 -4.436 1.00 0.00 O ATOM 608 CB CYS A 47 3.987 5.197 -3.398 1.00 0.00 C ATOM 609 SG CYS A 47 3.132 6.462 -2.391 1.00 0.00 S ATOM 0 H CYS A 47 6.242 6.510 -3.130 1.00 0.00 H new ATOM 0 HA CYS A 47 5.004 4.125 -1.897 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.201 5.618 -4.380 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.310 4.357 -3.552 1.00 0.00 H new ATOM 614 N ASN A 48 5.564 2.485 -3.773 1.00 0.00 N ATOM 615 CA ASN A 48 6.163 1.479 -4.633 1.00 0.00 C ATOM 616 C ASN A 48 5.528 1.561 -6.024 1.00 0.00 C ATOM 617 O ASN A 48 4.502 2.215 -6.204 1.00 0.00 O ATOM 618 CB ASN A 48 5.924 0.071 -4.087 1.00 0.00 C ATOM 619 CG ASN A 48 5.927 0.069 -2.557 1.00 0.00 C ATOM 620 OD1 ASN A 48 5.207 -0.672 -1.908 1.00 0.00 O ATOM 621 ND2 ASN A 48 6.776 0.939 -2.016 1.00 0.00 N ATOM 0 H ASN A 48 4.783 2.152 -3.207 1.00 0.00 H new ATOM 0 HA ASN A 48 7.235 1.670 -4.677 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.970 -0.308 -4.453 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.697 -0.603 -4.457 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.852 1.014 -1.002 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.351 1.531 -2.616 1.00 0.00 H new ATOM 628 N PRO A 49 6.183 0.870 -6.996 1.00 0.00 N ATOM 629 CA PRO A 49 5.694 0.861 -8.364 1.00 0.00 C ATOM 630 C PRO A 49 4.465 -0.043 -8.500 1.00 0.00 C ATOM 631 O PRO A 49 3.785 -0.023 -9.525 1.00 0.00 O ATOM 632 CB PRO A 49 6.872 0.390 -9.200 1.00 0.00 C ATOM 633 CG PRO A 49 7.827 -0.287 -8.230 1.00 0.00 C ATOM 634 CD PRO A 49 7.402 0.087 -6.819 1.00 0.00 C ATOM 0 HA PRO A 49 5.354 1.842 -8.696 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.548 -0.303 -9.976 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.355 1.228 -9.702 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.802 -1.369 -8.362 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.852 0.033 -8.417 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.219 -0.800 -6.212 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.175 0.666 -6.313 1.00 0.00 H new ATOM 642 N ALA A 50 4.220 -0.816 -7.451 1.00 0.00 N ATOM 643 CA ALA A 50 3.086 -1.724 -7.440 1.00 0.00 C ATOM 644 C ALA A 50 1.993 -1.159 -6.532 1.00 0.00 C ATOM 645 O ALA A 50 1.038 -1.858 -6.193 1.00 0.00 O ATOM 646 CB ALA A 50 3.551 -3.113 -6.997 1.00 0.00 C ATOM 0 H ALA A 50 4.787 -0.832 -6.604 1.00 0.00 H new ATOM 0 HA ALA A 50 2.664 -1.823 -8.440 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.701 -3.796 -6.988 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.306 -3.482 -7.691 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.978 -3.052 -5.996 1.00 0.00 H new ATOM 652 N ASP A 51 2.167 0.102 -6.162 1.00 0.00 N ATOM 653 CA ASP A 51 1.207 0.769 -5.301 1.00 0.00 C ATOM 654 C ASP A 51 0.130 1.433 -6.161 1.00 0.00 C ATOM 655 O ASP A 51 -0.720 2.157 -5.648 1.00 0.00 O ATOM 656 CB ASP A 51 1.882 1.861 -4.467 1.00 0.00 C ATOM 657 CG ASP A 51 0.950 2.973 -3.982 1.00 0.00 C ATOM 658 OD1 ASP A 51 0.483 2.859 -2.828 1.00 0.00 O ATOM 659 OD2 ASP A 51 0.727 3.910 -4.776 1.00 0.00 O ATOM 0 H ASP A 51 2.960 0.679 -6.444 1.00 0.00 H new ATOM 0 HA ASP A 51 0.774 0.021 -4.637 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.351 1.397 -3.600 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.680 2.309 -5.060 1.00 0.00 H new ATOM 665 N PHE A 52 0.201 1.158 -7.456 1.00 0.00 N ATOM 666 CA PHE A 52 -0.759 1.719 -8.393 1.00 0.00 C ATOM 667 C PHE A 52 -1.759 0.657 -8.857 1.00 0.00 C ATOM 668 O PHE A 52 -1.500 -0.064 -9.819 1.00 0.00 O ATOM 669 CB PHE A 52 0.036 2.219 -9.602 1.00 0.00 C ATOM 670 CG PHE A 52 1.414 2.784 -9.251 1.00 0.00 C ATOM 671 CD1 PHE A 52 1.575 3.528 -8.123 1.00 0.00 C ATOM 672 CD2 PHE A 52 2.476 2.545 -10.066 1.00 0.00 C ATOM 673 CE1 PHE A 52 2.853 4.053 -7.798 1.00 0.00 C ATOM 674 CE2 PHE A 52 3.753 3.072 -9.742 1.00 0.00 C ATOM 675 CZ PHE A 52 3.914 3.814 -8.613 1.00 0.00 C ATOM 0 H PHE A 52 0.907 0.555 -7.878 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.320 2.522 -7.915 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.161 1.397 -10.307 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.543 2.990 -10.111 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.732 3.719 -7.476 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.347 1.954 -10.961 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.982 4.643 -6.903 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.596 2.884 -10.391 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.886 4.214 -8.364 1.00 0.00 H new ATOM 685 N SER A 53 -2.877 0.596 -8.151 1.00 0.00 N ATOM 686 CA SER A 53 -3.915 -0.367 -8.477 1.00 0.00 C ATOM 687 C SER A 53 -5.287 0.197 -8.101 1.00 0.00 C ATOM 688 O SER A 53 -5.795 -0.073 -7.013 1.00 0.00 O ATOM 689 CB SER A 53 -3.674 -1.700 -7.766 1.00 0.00 C ATOM 690 OG SER A 53 -3.809 -2.809 -8.649 1.00 0.00 O ATOM 0 H SER A 53 -3.087 1.197 -7.354 1.00 0.00 H new ATOM 0 HA SER A 53 -3.887 -0.551 -9.551 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.675 -1.703 -7.331 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.381 -1.804 -6.943 1.00 0.00 H new ATOM 0 HG SER A 53 -2.964 -3.305 -8.683 1.00 0.00 H new ATOM 696 N SER A 54 -5.848 0.966 -9.021 1.00 0.00 N ATOM 697 CA SER A 54 -7.151 1.569 -8.799 1.00 0.00 C ATOM 698 C SER A 54 -8.039 0.618 -7.995 1.00 0.00 C ATOM 699 O SER A 54 -8.017 -0.593 -8.218 1.00 0.00 O ATOM 700 CB SER A 54 -7.824 1.931 -10.125 1.00 0.00 C ATOM 701 OG SER A 54 -9.173 2.351 -9.942 1.00 0.00 O ATOM 0 H SER A 54 -5.424 1.186 -9.922 1.00 0.00 H new ATOM 0 HA SER A 54 -7.009 2.489 -8.232 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.260 2.726 -10.613 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.800 1.068 -10.791 1.00 0.00 H new ATOM 0 HG SER A 54 -9.567 2.575 -10.811 1.00 0.00 H new ATOM 707 N VAL A 55 -8.798 1.197 -7.080 1.00 0.00 N ATOM 708 CA VAL A 55 -9.692 0.416 -6.243 1.00 0.00 C ATOM 709 C VAL A 55 -10.835 1.307 -5.752 1.00 0.00 C ATOM 710 O VAL A 55 -10.635 2.493 -5.489 1.00 0.00 O ATOM 711 CB VAL A 55 -8.906 -0.231 -5.101 1.00 0.00 C ATOM 712 CG1 VAL A 55 -9.811 -0.496 -3.895 1.00 0.00 C ATOM 713 CG2 VAL A 55 -8.221 -1.518 -5.567 1.00 0.00 C ATOM 0 H VAL A 55 -8.813 2.201 -6.898 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.138 -0.397 -6.816 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.129 0.467 -4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.228 -0.956 -3.097 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.231 0.446 -3.541 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.619 -1.166 -4.187 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.669 -1.958 -4.736 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.974 -2.224 -5.917 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.532 -1.290 -6.380 1.00 0.00 H new ATOM 723 N THR A 56 -12.010 0.703 -5.642 1.00 0.00 N ATOM 724 CA THR A 56 -13.184 1.427 -5.189 1.00 0.00 C ATOM 725 C THR A 56 -13.915 0.632 -4.106 1.00 0.00 C ATOM 726 O THR A 56 -13.934 -0.596 -4.140 1.00 0.00 O ATOM 727 CB THR A 56 -14.054 1.731 -6.410 1.00 0.00 C ATOM 728 OG1 THR A 56 -14.179 3.151 -6.401 1.00 0.00 O ATOM 729 CG2 THR A 56 -15.490 1.230 -6.246 1.00 0.00 C ATOM 0 H THR A 56 -12.173 -0.280 -5.859 1.00 0.00 H new ATOM 0 HA THR A 56 -12.909 2.374 -4.724 1.00 0.00 H new ATOM 0 HB THR A 56 -13.610 1.275 -7.295 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.696 3.429 -5.617 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.064 1.472 -7.141 1.00 0.00 H new ATOM 0 HG22 THR A 56 -15.484 0.150 -6.099 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.947 1.711 -5.381 1.00 0.00 H new ATOM 737 N ALA A 57 -14.499 1.367 -3.171 1.00 0.00 N ATOM 738 CA ALA A 57 -15.230 0.743 -2.078 1.00 0.00 C ATOM 739 C ALA A 57 -16.732 0.924 -2.308 1.00 0.00 C ATOM 740 O ALA A 57 -17.166 1.963 -2.806 1.00 0.00 O ATOM 741 CB ALA A 57 -14.767 1.341 -0.749 1.00 0.00 C ATOM 0 H ALA A 57 -14.482 2.387 -3.146 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.029 -0.328 -2.041 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.314 0.874 0.070 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.700 1.161 -0.621 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.957 2.414 -0.747 1.00 0.00 H new ATOM 747 N ASP A 58 -17.484 -0.100 -1.932 1.00 0.00 N ATOM 748 CA ASP A 58 -18.927 -0.067 -2.091 1.00 0.00 C ATOM 749 C ASP A 58 -19.504 1.061 -1.232 1.00 0.00 C ATOM 750 O ASP A 58 -18.870 1.501 -0.273 1.00 0.00 O ATOM 751 CB ASP A 58 -19.562 -1.380 -1.633 1.00 0.00 C ATOM 752 CG ASP A 58 -18.687 -2.621 -1.825 1.00 0.00 C ATOM 753 OD1 ASP A 58 -17.678 -2.499 -2.551 1.00 0.00 O ATOM 754 OD2 ASP A 58 -19.049 -3.667 -1.241 1.00 0.00 O ATOM 0 H ASP A 58 -17.120 -0.958 -1.517 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.146 0.091 -3.147 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.818 -1.294 -0.577 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.496 -1.524 -2.177 1.00 0.00 H new ATOM 760 N ALA A 59 -20.699 1.494 -1.605 1.00 0.00 N ATOM 761 CA ALA A 59 -21.368 2.560 -0.882 1.00 0.00 C ATOM 762 C ALA A 59 -21.152 2.365 0.621 1.00 0.00 C ATOM 763 O ALA A 59 -21.124 3.335 1.378 1.00 0.00 O ATOM 764 CB ALA A 59 -22.852 2.582 -1.258 1.00 0.00 C ATOM 0 H ALA A 59 -21.221 1.125 -2.400 1.00 0.00 H new ATOM 0 HA ALA A 59 -20.948 3.528 -1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.353 3.383 -0.714 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.953 2.752 -2.330 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.307 1.627 -0.998 1.00 0.00 H new ATOM 770 N ASN A 60 -21.002 1.106 1.006 1.00 0.00 N ATOM 771 CA ASN A 60 -20.790 0.774 2.404 1.00 0.00 C ATOM 772 C ASN A 60 -19.291 0.810 2.709 1.00 0.00 C ATOM 773 O ASN A 60 -18.798 0.024 3.518 1.00 0.00 O ATOM 774 CB ASN A 60 -21.301 -0.633 2.719 1.00 0.00 C ATOM 775 CG ASN A 60 -21.767 -0.736 4.173 1.00 0.00 C ATOM 776 OD1 ASN A 60 -21.988 0.253 4.852 1.00 0.00 O ATOM 777 ND2 ASN A 60 -21.901 -1.984 4.611 1.00 0.00 N ATOM 0 H ASN A 60 -21.023 0.305 0.375 1.00 0.00 H new ATOM 0 HA ASN A 60 -21.333 1.500 3.010 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -22.125 -0.882 2.051 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.510 -1.360 2.535 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.206 -2.158 5.569 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.699 -2.767 3.989 1.00 0.00 H new ATOM 784 N GLY A 61 -18.607 1.732 2.048 1.00 0.00 N ATOM 785 CA GLY A 61 -17.175 1.881 2.239 1.00 0.00 C ATOM 786 C GLY A 61 -16.486 0.519 2.309 1.00 0.00 C ATOM 787 O GLY A 61 -15.580 0.317 3.117 1.00 0.00 O ATOM 0 H GLY A 61 -19.018 2.383 1.379 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -16.754 2.463 1.419 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -16.983 2.437 3.157 1.00 0.00 H new ATOM 791 N SER A 62 -16.940 -0.384 1.455 1.00 0.00 N ATOM 792 CA SER A 62 -16.379 -1.724 1.410 1.00 0.00 C ATOM 793 C SER A 62 -15.493 -1.878 0.172 1.00 0.00 C ATOM 794 O SER A 62 -15.993 -2.090 -0.931 1.00 0.00 O ATOM 795 CB SER A 62 -17.483 -2.784 1.407 1.00 0.00 C ATOM 796 OG SER A 62 -18.522 -2.475 2.333 1.00 0.00 O ATOM 0 H SER A 62 -17.692 -0.215 0.787 1.00 0.00 H new ATOM 0 HA SER A 62 -15.773 -1.872 2.304 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.903 -2.867 0.405 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.054 -3.755 1.654 1.00 0.00 H new ATOM 0 HG SER A 62 -18.377 -1.578 2.700 1.00 0.00 H new ATOM 802 N ALA A 63 -14.192 -1.766 0.398 1.00 0.00 N ATOM 803 CA ALA A 63 -13.231 -1.893 -0.685 1.00 0.00 C ATOM 804 C ALA A 63 -12.538 -3.254 -0.593 1.00 0.00 C ATOM 805 O ALA A 63 -11.464 -3.369 -0.007 1.00 0.00 O ATOM 806 CB ALA A 63 -12.238 -0.729 -0.625 1.00 0.00 C ATOM 0 H ALA A 63 -13.781 -1.589 1.315 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.734 -1.845 -1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.517 -0.824 -1.437 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.776 0.214 -0.725 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.713 -0.747 0.330 1.00 0.00 H new ATOM 812 N SER A 64 -13.185 -4.251 -1.179 1.00 0.00 N ATOM 813 CA SER A 64 -12.646 -5.600 -1.170 1.00 0.00 C ATOM 814 C SER A 64 -11.875 -5.864 -2.464 1.00 0.00 C ATOM 815 O SER A 64 -12.358 -6.576 -3.344 1.00 0.00 O ATOM 816 CB SER A 64 -13.757 -6.636 -0.992 1.00 0.00 C ATOM 817 OG SER A 64 -14.919 -6.307 -1.747 1.00 0.00 O ATOM 0 H SER A 64 -14.077 -4.151 -1.663 1.00 0.00 H new ATOM 0 HA SER A 64 -11.964 -5.690 -0.324 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.391 -7.616 -1.298 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.019 -6.709 0.064 1.00 0.00 H new ATOM 0 HG SER A 64 -15.605 -6.993 -1.608 1.00 0.00 H new ATOM 823 N THR A 65 -10.689 -5.278 -2.540 1.00 0.00 N ATOM 824 CA THR A 65 -9.846 -5.440 -3.714 1.00 0.00 C ATOM 825 C THR A 65 -8.625 -6.297 -3.376 1.00 0.00 C ATOM 826 O THR A 65 -8.003 -6.117 -2.332 1.00 0.00 O ATOM 827 CB THR A 65 -9.487 -4.047 -4.234 1.00 0.00 C ATOM 828 OG1 THR A 65 -8.785 -3.443 -3.150 1.00 0.00 O ATOM 829 CG2 THR A 65 -10.716 -3.157 -4.422 1.00 0.00 C ATOM 0 H THR A 65 -10.291 -4.690 -1.808 1.00 0.00 H new ATOM 0 HA THR A 65 -10.369 -5.973 -4.508 1.00 0.00 H new ATOM 0 HB THR A 65 -8.957 -4.139 -5.182 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.828 -3.635 -3.233 1.00 0.00 H new ATOM 0 HG21 THR A 65 -10.405 -2.180 -4.792 1.00 0.00 H new ATOM 0 HG22 THR A 65 -11.393 -3.619 -5.141 1.00 0.00 H new ATOM 0 HG23 THR A 65 -11.228 -3.037 -3.467 1.00 0.00 H new ATOM 837 N SER A 66 -8.319 -7.217 -4.282 1.00 0.00 N ATOM 838 CA SER A 66 -7.184 -8.103 -4.096 1.00 0.00 C ATOM 839 C SER A 66 -6.037 -7.685 -5.016 1.00 0.00 C ATOM 840 O SER A 66 -6.266 -7.255 -6.146 1.00 0.00 O ATOM 841 CB SER A 66 -7.573 -9.560 -4.361 1.00 0.00 C ATOM 842 OG SER A 66 -7.801 -9.808 -5.746 1.00 0.00 O ATOM 0 H SER A 66 -8.839 -7.366 -5.147 1.00 0.00 H new ATOM 0 HA SER A 66 -6.856 -8.025 -3.059 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.782 -10.218 -4.000 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.473 -9.804 -3.796 1.00 0.00 H new ATOM 0 HG SER A 66 -8.045 -10.748 -5.874 1.00 0.00 H new ATOM 848 N LEU A 67 -4.824 -7.823 -4.498 1.00 0.00 N ATOM 849 CA LEU A 67 -3.639 -7.464 -5.260 1.00 0.00 C ATOM 850 C LEU A 67 -2.420 -8.163 -4.656 1.00 0.00 C ATOM 851 O LEU A 67 -2.554 -8.971 -3.738 1.00 0.00 O ATOM 852 CB LEU A 67 -3.498 -5.943 -5.346 1.00 0.00 C ATOM 853 CG LEU A 67 -3.696 -5.329 -6.734 1.00 0.00 C ATOM 854 CD1 LEU A 67 -3.046 -6.195 -7.816 1.00 0.00 C ATOM 855 CD2 LEU A 67 -5.177 -5.076 -7.015 1.00 0.00 C ATOM 0 H LEU A 67 -4.637 -8.178 -3.560 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.727 -7.810 -6.290 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.219 -5.492 -4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.506 -5.669 -4.987 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.195 -4.361 -6.754 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.202 -5.736 -8.792 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.977 -6.279 -7.621 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.496 -7.188 -7.806 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.290 -4.640 -8.007 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.722 -6.019 -6.969 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.577 -4.389 -6.269 1.00 0.00 H new ATOM 867 N THR A 68 -1.257 -7.825 -5.195 1.00 0.00 N ATOM 868 CA THR A 68 -0.015 -8.410 -4.720 1.00 0.00 C ATOM 869 C THR A 68 0.798 -7.374 -3.939 1.00 0.00 C ATOM 870 O THR A 68 1.065 -6.284 -4.440 1.00 0.00 O ATOM 871 CB THR A 68 0.731 -8.982 -5.928 1.00 0.00 C ATOM 872 OG1 THR A 68 -0.126 -10.013 -6.408 1.00 0.00 O ATOM 873 CG2 THR A 68 2.013 -9.714 -5.532 1.00 0.00 C ATOM 0 H THR A 68 -1.149 -7.154 -5.956 1.00 0.00 H new ATOM 0 HA THR A 68 -0.204 -9.224 -4.021 1.00 0.00 H new ATOM 0 HB THR A 68 0.975 -8.176 -6.620 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.301 -10.469 -7.163 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.503 -10.100 -6.426 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.683 -9.023 -5.021 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.769 -10.542 -4.866 1.00 0.00 H new ATOM 881 N VAL A 69 1.166 -7.752 -2.724 1.00 0.00 N ATOM 882 CA VAL A 69 1.942 -6.872 -1.869 1.00 0.00 C ATOM 883 C VAL A 69 3.432 -7.101 -2.125 1.00 0.00 C ATOM 884 O VAL A 69 4.046 -7.969 -1.507 1.00 0.00 O ATOM 885 CB VAL A 69 1.548 -7.081 -0.405 1.00 0.00 C ATOM 886 CG1 VAL A 69 1.653 -8.556 -0.016 1.00 0.00 C ATOM 887 CG2 VAL A 69 2.395 -6.207 0.521 1.00 0.00 C ATOM 0 H VAL A 69 0.941 -8.657 -2.311 1.00 0.00 H new ATOM 0 HA VAL A 69 1.729 -5.829 -2.103 1.00 0.00 H new ATOM 0 HB VAL A 69 0.507 -6.778 -0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.368 -8.678 1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.987 -9.147 -0.645 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.679 -8.897 -0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.095 -6.375 1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.447 -6.465 0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.248 -5.158 0.266 1.00 0.00 H new ATOM 897 N ARG A 70 3.972 -6.305 -3.038 1.00 0.00 N ATOM 898 CA ARG A 70 5.379 -6.412 -3.383 1.00 0.00 C ATOM 899 C ARG A 70 6.198 -5.392 -2.593 1.00 0.00 C ATOM 900 O ARG A 70 5.908 -4.196 -2.625 1.00 0.00 O ATOM 901 CB ARG A 70 5.598 -6.182 -4.880 1.00 0.00 C ATOM 902 CG ARG A 70 4.604 -6.994 -5.711 1.00 0.00 C ATOM 903 CD ARG A 70 5.258 -8.259 -6.268 1.00 0.00 C ATOM 904 NE ARG A 70 4.781 -8.513 -7.646 1.00 0.00 N ATOM 905 CZ ARG A 70 5.310 -9.427 -8.470 1.00 0.00 C ATOM 906 NH1 ARG A 70 6.341 -10.181 -8.059 1.00 0.00 N ATOM 907 NH2 ARG A 70 4.812 -9.588 -9.703 1.00 0.00 N ATOM 0 H ARG A 70 3.461 -5.585 -3.548 1.00 0.00 H new ATOM 0 HA ARG A 70 5.707 -7.420 -3.130 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.488 -5.122 -5.109 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.616 -6.462 -5.149 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.746 -7.265 -5.095 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.227 -6.384 -6.532 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.342 -8.149 -6.265 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.022 -9.111 -5.630 1.00 0.00 H new ATOM 0 HE ARG A 70 3.999 -7.956 -7.990 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.721 -10.058 -7.120 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.745 -10.877 -8.685 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.029 -9.014 -10.016 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.216 -10.284 -10.329 1.00 0.00 H new ATOM 921 N ARG A 71 7.209 -5.899 -1.899 1.00 0.00 N ATOM 922 CA ARG A 71 8.073 -5.046 -1.101 1.00 0.00 C ATOM 923 C ARG A 71 9.273 -4.583 -1.928 1.00 0.00 C ATOM 924 O ARG A 71 9.689 -3.429 -1.833 1.00 0.00 O ATOM 925 CB ARG A 71 8.571 -5.779 0.145 1.00 0.00 C ATOM 926 CG ARG A 71 9.896 -5.188 0.634 1.00 0.00 C ATOM 927 CD ARG A 71 10.452 -5.992 1.811 1.00 0.00 C ATOM 928 NE ARG A 71 10.828 -7.351 1.362 1.00 0.00 N ATOM 929 CZ ARG A 71 11.457 -8.249 2.132 1.00 0.00 C ATOM 930 NH1 ARG A 71 11.785 -7.938 3.395 1.00 0.00 N ATOM 931 NH2 ARG A 71 11.760 -9.459 1.641 1.00 0.00 N ATOM 0 H ARG A 71 7.448 -6.890 -1.874 1.00 0.00 H new ATOM 0 HA ARG A 71 7.488 -4.180 -0.789 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.824 -5.710 0.935 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.701 -6.838 -0.079 1.00 0.00 H new ATOM 0 HG2 ARG A 71 10.619 -5.182 -0.182 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.747 -4.151 0.935 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.321 -5.485 2.230 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.706 -6.055 2.604 1.00 0.00 H new ATOM 0 HE ARG A 71 10.594 -7.621 0.407 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.556 -7.017 3.770 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.264 -8.622 3.981 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.512 -9.696 0.681 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.239 -10.142 2.228 1.00 0.00 H new ATOM 945 N SER A 72 9.794 -5.506 -2.723 1.00 0.00 N ATOM 946 CA SER A 72 10.939 -5.207 -3.567 1.00 0.00 C ATOM 947 C SER A 72 10.472 -4.574 -4.880 1.00 0.00 C ATOM 948 O SER A 72 9.556 -5.082 -5.526 1.00 0.00 O ATOM 949 CB SER A 72 11.760 -6.466 -3.849 1.00 0.00 C ATOM 950 OG SER A 72 11.209 -7.234 -4.914 1.00 0.00 O ATOM 0 H SER A 72 9.445 -6.461 -2.801 1.00 0.00 H new ATOM 0 HA SER A 72 11.577 -4.500 -3.037 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.783 -6.184 -4.097 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.808 -7.077 -2.948 1.00 0.00 H new ATOM 0 HG SER A 72 11.762 -8.029 -5.065 1.00 0.00 H new ATOM 956 N PHE A 73 11.121 -3.475 -5.235 1.00 0.00 N ATOM 957 CA PHE A 73 10.782 -2.769 -6.458 1.00 0.00 C ATOM 958 C PHE A 73 11.324 -1.338 -6.432 1.00 0.00 C ATOM 959 O PHE A 73 11.987 -0.939 -5.476 1.00 0.00 O ATOM 960 CB PHE A 73 9.256 -2.722 -6.540 1.00 0.00 C ATOM 961 CG PHE A 73 8.665 -3.604 -7.641 1.00 0.00 C ATOM 962 CD1 PHE A 73 9.217 -3.599 -8.886 1.00 0.00 C ATOM 963 CD2 PHE A 73 7.589 -4.393 -7.379 1.00 0.00 C ATOM 964 CE1 PHE A 73 8.666 -4.415 -9.909 1.00 0.00 C ATOM 965 CE2 PHE A 73 7.042 -5.211 -8.402 1.00 0.00 C ATOM 966 CZ PHE A 73 7.592 -5.206 -9.646 1.00 0.00 C ATOM 0 H PHE A 73 11.880 -3.056 -4.697 1.00 0.00 H new ATOM 0 HA PHE A 73 11.219 -3.280 -7.316 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.841 -3.030 -5.580 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.943 -1.691 -6.707 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.073 -2.975 -9.095 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.150 -4.397 -6.392 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.101 -4.407 -10.898 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.188 -5.838 -8.192 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.176 -5.829 -10.424 1.00 0.00 H new ATOM 976 N GLU A 74 11.020 -0.605 -7.494 1.00 0.00 N ATOM 977 CA GLU A 74 11.468 0.772 -7.603 1.00 0.00 C ATOM 978 C GLU A 74 10.416 1.720 -7.024 1.00 0.00 C ATOM 979 O GLU A 74 9.367 1.935 -7.630 1.00 0.00 O ATOM 980 CB GLU A 74 11.787 1.131 -9.057 1.00 0.00 C ATOM 981 CG GLU A 74 12.569 2.442 -9.141 1.00 0.00 C ATOM 982 CD GLU A 74 12.110 3.281 -10.335 1.00 0.00 C ATOM 983 OE1 GLU A 74 11.303 4.207 -10.102 1.00 0.00 O ATOM 984 OE2 GLU A 74 12.577 2.977 -11.454 1.00 0.00 O ATOM 0 H GLU A 74 10.470 -0.939 -8.285 1.00 0.00 H new ATOM 0 HA GLU A 74 12.386 0.882 -7.025 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.366 0.329 -9.514 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.861 1.219 -9.625 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.434 3.009 -8.220 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.634 2.229 -9.230 1.00 0.00 H new ATOM 992 N GLY A 75 10.735 2.264 -5.859 1.00 0.00 N ATOM 993 CA GLY A 75 9.829 3.184 -5.190 1.00 0.00 C ATOM 994 C GLY A 75 10.079 4.624 -5.642 1.00 0.00 C ATOM 995 O GLY A 75 11.085 4.910 -6.290 1.00 0.00 O ATOM 0 H GLY A 75 11.607 2.086 -5.361 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.797 2.905 -5.405 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.961 3.110 -4.111 1.00 0.00 H new ATOM 999 N PHE A 76 9.145 5.494 -5.285 1.00 0.00 N ATOM 1000 CA PHE A 76 9.252 6.897 -5.646 1.00 0.00 C ATOM 1001 C PHE A 76 8.905 7.798 -4.458 1.00 0.00 C ATOM 1002 O PHE A 76 7.898 7.582 -3.786 1.00 0.00 O ATOM 1003 CB PHE A 76 8.245 7.147 -6.771 1.00 0.00 C ATOM 1004 CG PHE A 76 7.007 7.937 -6.335 1.00 0.00 C ATOM 1005 CD1 PHE A 76 6.050 7.339 -5.581 1.00 0.00 C ATOM 1006 CD2 PHE A 76 6.870 9.239 -6.705 1.00 0.00 C ATOM 1007 CE1 PHE A 76 4.903 8.072 -5.178 1.00 0.00 C ATOM 1008 CE2 PHE A 76 5.723 9.973 -6.301 1.00 0.00 C ATOM 1009 CZ PHE A 76 4.765 9.374 -5.545 1.00 0.00 C ATOM 0 H PHE A 76 8.311 5.254 -4.749 1.00 0.00 H new ATOM 0 HA PHE A 76 10.272 7.125 -5.954 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.743 7.687 -7.577 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.926 6.188 -7.179 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.161 6.306 -5.288 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.632 9.714 -7.305 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.140 7.596 -4.580 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.612 11.006 -6.594 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.894 9.933 -5.236 1.00 0.00 H new ATOM 1019 N LEU A 77 9.757 8.786 -4.238 1.00 0.00 N ATOM 1020 CA LEU A 77 9.555 9.720 -3.145 1.00 0.00 C ATOM 1021 C LEU A 77 8.145 10.312 -3.237 1.00 0.00 C ATOM 1022 O LEU A 77 7.411 10.025 -4.182 1.00 0.00 O ATOM 1023 CB LEU A 77 10.664 10.774 -3.127 1.00 0.00 C ATOM 1024 CG LEU A 77 12.048 10.284 -2.698 1.00 0.00 C ATOM 1025 CD1 LEU A 77 11.942 9.019 -1.845 1.00 0.00 C ATOM 1026 CD2 LEU A 77 12.956 10.083 -3.912 1.00 0.00 C ATOM 0 H LEU A 77 10.591 8.961 -4.799 1.00 0.00 H new ATOM 0 HA LEU A 77 9.622 9.204 -2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.746 11.204 -4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.362 11.579 -2.457 1.00 0.00 H new ATOM 0 HG LEU A 77 12.506 11.053 -2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.940 8.692 -1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.354 9.231 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.456 8.231 -2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.934 9.734 -3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.514 9.343 -4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.068 11.028 -4.443 1.00 0.00 H new ATOM 1038 N PHE A 78 7.811 11.123 -2.246 1.00 0.00 N ATOM 1039 CA PHE A 78 6.506 11.757 -2.205 1.00 0.00 C ATOM 1040 C PHE A 78 6.479 13.018 -3.072 1.00 0.00 C ATOM 1041 O PHE A 78 5.425 13.411 -3.569 1.00 0.00 O ATOM 1042 CB PHE A 78 6.242 12.147 -0.748 1.00 0.00 C ATOM 1043 CG PHE A 78 6.581 13.602 -0.423 1.00 0.00 C ATOM 1044 CD1 PHE A 78 7.877 14.014 -0.417 1.00 0.00 C ATOM 1045 CD2 PHE A 78 5.586 14.486 -0.143 1.00 0.00 C ATOM 1046 CE1 PHE A 78 8.191 15.366 -0.116 1.00 0.00 C ATOM 1047 CE2 PHE A 78 5.901 15.837 0.159 1.00 0.00 C ATOM 1048 CZ PHE A 78 7.197 16.249 0.167 1.00 0.00 C ATOM 0 H PHE A 78 8.423 11.356 -1.464 1.00 0.00 H new ATOM 0 HA PHE A 78 5.749 11.072 -2.586 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.191 11.970 -0.520 1.00 0.00 H new ATOM 0 HB3 PHE A 78 6.824 11.495 -0.097 1.00 0.00 H new ATOM 0 HD1 PHE A 78 8.667 13.313 -0.641 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.556 14.160 -0.150 1.00 0.00 H new ATOM 0 HE1 PHE A 78 9.220 15.693 -0.112 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.111 16.538 0.383 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.436 17.277 0.398 1.00 0.00 H new ATOM 1058 N ASP A 79 7.651 13.616 -3.225 1.00 0.00 N ATOM 1059 CA ASP A 79 7.776 14.823 -4.022 1.00 0.00 C ATOM 1060 C ASP A 79 7.367 14.521 -5.465 1.00 0.00 C ATOM 1061 O ASP A 79 6.453 15.151 -5.999 1.00 0.00 O ATOM 1062 CB ASP A 79 9.221 15.327 -4.038 1.00 0.00 C ATOM 1063 CG ASP A 79 9.404 16.778 -3.592 1.00 0.00 C ATOM 1064 OD1 ASP A 79 10.392 17.393 -4.053 1.00 0.00 O ATOM 1065 OD2 ASP A 79 8.554 17.242 -2.803 1.00 0.00 O ATOM 0 H ASP A 79 8.523 13.287 -2.810 1.00 0.00 H new ATOM 0 HA ASP A 79 7.133 15.585 -3.581 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.821 14.686 -3.392 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.616 15.221 -5.048 1.00 0.00 H new ATOM 1071 N GLY A 80 8.060 13.559 -6.055 1.00 0.00 N ATOM 1072 CA GLY A 80 7.779 13.167 -7.426 1.00 0.00 C ATOM 1073 C GLY A 80 8.947 12.376 -8.020 1.00 0.00 C ATOM 1074 O GLY A 80 8.753 11.553 -8.912 1.00 0.00 O ATOM 0 H GLY A 80 8.816 13.039 -5.609 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.873 12.562 -7.457 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.591 14.054 -8.031 1.00 0.00 H new ATOM 1078 N THR A 81 10.133 12.657 -7.501 1.00 0.00 N ATOM 1079 CA THR A 81 11.332 11.984 -7.970 1.00 0.00 C ATOM 1080 C THR A 81 11.362 10.539 -7.471 1.00 0.00 C ATOM 1081 O THR A 81 10.890 10.247 -6.373 1.00 0.00 O ATOM 1082 CB THR A 81 12.542 12.807 -7.520 1.00 0.00 C ATOM 1083 OG1 THR A 81 12.542 13.930 -8.396 1.00 0.00 O ATOM 1084 CG2 THR A 81 13.870 12.105 -7.816 1.00 0.00 C ATOM 0 H THR A 81 10.289 13.341 -6.761 1.00 0.00 H new ATOM 0 HA THR A 81 11.350 11.920 -9.058 1.00 0.00 H new ATOM 0 HB THR A 81 12.467 13.008 -6.451 1.00 0.00 H new ATOM 0 HG1 THR A 81 13.294 14.518 -8.174 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.696 12.731 -7.477 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.901 11.149 -7.293 1.00 0.00 H new ATOM 0 HG23 THR A 81 13.960 11.935 -8.889 1.00 0.00 H new ATOM 1092 N ARG A 82 11.921 9.671 -8.302 1.00 0.00 N ATOM 1093 CA ARG A 82 12.016 8.261 -7.958 1.00 0.00 C ATOM 1094 C ARG A 82 13.218 8.018 -7.044 1.00 0.00 C ATOM 1095 O ARG A 82 14.285 8.597 -7.246 1.00 0.00 O ATOM 1096 CB ARG A 82 12.158 7.397 -9.214 1.00 0.00 C ATOM 1097 CG ARG A 82 13.556 7.535 -9.818 1.00 0.00 C ATOM 1098 CD ARG A 82 13.615 6.908 -11.214 1.00 0.00 C ATOM 1099 NE ARG A 82 15.012 6.568 -11.557 1.00 0.00 N ATOM 1100 CZ ARG A 82 15.373 5.911 -12.669 1.00 0.00 C ATOM 1101 NH1 ARG A 82 14.443 5.524 -13.551 1.00 0.00 N ATOM 1102 NH2 ARG A 82 16.666 5.644 -12.898 1.00 0.00 N ATOM 0 H ARG A 82 12.312 9.916 -9.212 1.00 0.00 H new ATOM 0 HA ARG A 82 11.098 7.983 -7.440 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.967 6.353 -8.965 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.409 7.692 -9.949 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.828 8.589 -9.877 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.286 7.053 -9.168 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.996 6.012 -11.245 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.210 7.602 -11.951 1.00 0.00 H new ATOM 0 HE ARG A 82 15.747 6.850 -10.908 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.459 5.729 -13.377 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.719 5.024 -14.396 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.375 5.940 -12.227 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.942 5.144 -13.743 1.00 0.00 H new ATOM 1116 N TRP A 83 13.004 7.165 -6.054 1.00 0.00 N ATOM 1117 CA TRP A 83 14.057 6.838 -5.106 1.00 0.00 C ATOM 1118 C TRP A 83 14.712 5.533 -5.558 1.00 0.00 C ATOM 1119 O TRP A 83 15.690 5.549 -6.301 1.00 0.00 O ATOM 1120 CB TRP A 83 13.509 6.771 -3.678 1.00 0.00 C ATOM 1121 CG TRP A 83 14.509 6.240 -2.653 1.00 0.00 C ATOM 1122 CD1 TRP A 83 14.436 5.108 -1.939 1.00 0.00 C ATOM 1123 CD2 TRP A 83 15.744 6.869 -2.249 1.00 0.00 C ATOM 1124 NE1 TRP A 83 15.530 4.961 -1.109 1.00 0.00 N ATOM 1125 CE2 TRP A 83 16.351 6.067 -1.305 1.00 0.00 C ATOM 1126 CE3 TRP A 83 16.330 8.075 -2.670 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 17.574 6.382 -0.701 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 17.551 8.377 -2.057 1.00 0.00 C ATOM 1129 CH2 TRP A 83 18.175 7.581 -1.104 1.00 0.00 C ATOM 0 H TRP A 83 12.117 6.690 -5.887 1.00 0.00 H new ATOM 0 HA TRP A 83 14.816 7.620 -5.089 1.00 0.00 H new ATOM 0 HB2 TRP A 83 13.189 7.768 -3.375 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.623 6.136 -3.669 1.00 0.00 H new ATOM 0 HD1 TRP A 83 13.623 4.400 -2.005 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.704 4.185 -0.470 1.00 0.00 H new ATOM 0 HE3 TRP A 83 15.874 8.718 -3.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 18.029 5.736 0.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 18.044 9.294 -2.345 1.00 0.00 H new ATOM 0 HH2 TRP A 83 19.119 7.886 -0.676 1.00 0.00 H new ATOM 1140 N GLY A 84 14.146 4.431 -5.087 1.00 0.00 N ATOM 1141 CA GLY A 84 14.663 3.117 -5.433 1.00 0.00 C ATOM 1142 C GLY A 84 13.953 2.022 -4.635 1.00 0.00 C ATOM 1143 O GLY A 84 13.373 1.104 -5.212 1.00 0.00 O ATOM 0 H GLY A 84 13.335 4.421 -4.469 1.00 0.00 H new ATOM 0 HA2 GLY A 84 14.530 2.939 -6.500 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.734 3.080 -5.235 1.00 0.00 H new ATOM 1147 N THR A 85 14.025 2.152 -3.317 1.00 0.00 N ATOM 1148 CA THR A 85 13.398 1.185 -2.435 1.00 0.00 C ATOM 1149 C THR A 85 14.141 -0.150 -2.490 1.00 0.00 C ATOM 1150 O THR A 85 14.686 -0.604 -1.486 1.00 0.00 O ATOM 1151 CB THR A 85 11.921 1.074 -2.827 1.00 0.00 C ATOM 1152 OG1 THR A 85 11.435 2.411 -2.732 1.00 0.00 O ATOM 1153 CG2 THR A 85 11.097 0.306 -1.791 1.00 0.00 C ATOM 0 H THR A 85 14.509 2.913 -2.840 1.00 0.00 H new ATOM 0 HA THR A 85 13.451 1.508 -1.395 1.00 0.00 H new ATOM 0 HB THR A 85 11.839 0.581 -3.796 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.564 2.411 -2.284 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.058 0.256 -2.117 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.494 -0.704 -1.687 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.152 0.818 -0.830 1.00 0.00 H new ATOM 1161 N VAL A 86 14.141 -0.742 -3.675 1.00 0.00 N ATOM 1162 CA VAL A 86 14.811 -2.016 -3.876 1.00 0.00 C ATOM 1163 C VAL A 86 14.091 -3.098 -3.069 1.00 0.00 C ATOM 1164 O VAL A 86 13.476 -3.998 -3.638 1.00 0.00 O ATOM 1165 CB VAL A 86 16.293 -1.891 -3.517 1.00 0.00 C ATOM 1166 CG1 VAL A 86 17.024 -3.217 -3.734 1.00 0.00 C ATOM 1167 CG2 VAL A 86 16.954 -0.764 -4.313 1.00 0.00 C ATOM 0 H VAL A 86 13.688 -0.363 -4.506 1.00 0.00 H new ATOM 0 HA VAL A 86 14.768 -2.308 -4.925 1.00 0.00 H new ATOM 0 HB VAL A 86 16.362 -1.641 -2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 86 18.075 -3.100 -3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 86 16.576 -3.986 -3.105 1.00 0.00 H new ATOM 0 HG13 VAL A 86 16.942 -3.511 -4.780 1.00 0.00 H new ATOM 0 HG21 VAL A 86 18.007 -0.695 -4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 86 16.868 -0.973 -5.379 1.00 0.00 H new ATOM 0 HG23 VAL A 86 16.458 0.180 -4.087 1.00 0.00 H new ATOM 1177 N ASP A 87 14.189 -2.974 -1.754 1.00 0.00 N ATOM 1178 CA ASP A 87 13.555 -3.931 -0.861 1.00 0.00 C ATOM 1179 C ASP A 87 13.033 -3.199 0.377 1.00 0.00 C ATOM 1180 O ASP A 87 13.784 -2.960 1.322 1.00 0.00 O ATOM 1181 CB ASP A 87 14.549 -4.995 -0.399 1.00 0.00 C ATOM 1182 CG ASP A 87 13.971 -6.405 -0.259 1.00 0.00 C ATOM 1183 OD1 ASP A 87 13.711 -7.019 -1.317 1.00 0.00 O ATOM 1184 OD2 ASP A 87 13.800 -6.837 0.901 1.00 0.00 O ATOM 0 H ASP A 87 14.698 -2.225 -1.284 1.00 0.00 H new ATOM 0 HA ASP A 87 12.741 -4.411 -1.404 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.378 -5.027 -1.106 1.00 0.00 H new ATOM 0 HB3 ASP A 87 14.962 -4.691 0.563 1.00 0.00 H new ATOM 1190 N CYS A 88 11.754 -2.862 0.331 1.00 0.00 N ATOM 1191 CA CYS A 88 11.123 -2.162 1.437 1.00 0.00 C ATOM 1192 C CYS A 88 11.048 -3.118 2.629 1.00 0.00 C ATOM 1193 O CYS A 88 9.959 -3.525 3.035 1.00 0.00 O ATOM 1194 CB CYS A 88 9.746 -1.617 1.054 1.00 0.00 C ATOM 1195 SG CYS A 88 8.686 -1.145 2.468 1.00 0.00 S ATOM 0 H CYS A 88 11.136 -3.061 -0.456 1.00 0.00 H new ATOM 0 HA CYS A 88 11.721 -1.291 1.707 1.00 0.00 H new ATOM 0 HB2 CYS A 88 9.881 -0.746 0.413 1.00 0.00 H new ATOM 0 HB3 CYS A 88 9.225 -2.370 0.463 1.00 0.00 H new ATOM 1200 N THR A 89 12.216 -3.451 3.159 1.00 0.00 N ATOM 1201 CA THR A 89 12.297 -4.350 4.295 1.00 0.00 C ATOM 1202 C THR A 89 12.646 -3.574 5.567 1.00 0.00 C ATOM 1203 O THR A 89 12.533 -4.103 6.672 1.00 0.00 O ATOM 1204 CB THR A 89 13.305 -5.450 3.958 1.00 0.00 C ATOM 1205 OG1 THR A 89 13.285 -6.301 5.099 1.00 0.00 O ATOM 1206 CG2 THR A 89 14.743 -4.929 3.905 1.00 0.00 C ATOM 0 H THR A 89 13.116 -3.112 2.820 1.00 0.00 H new ATOM 0 HA THR A 89 11.335 -4.822 4.494 1.00 0.00 H new ATOM 0 HB THR A 89 13.046 -5.899 2.999 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.160 -5.761 5.907 1.00 0.00 H new ATOM 0 HG21 THR A 89 15.418 -5.749 3.662 1.00 0.00 H new ATOM 0 HG22 THR A 89 14.822 -4.156 3.141 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.014 -4.510 4.874 1.00 0.00 H new ATOM 1214 N THR A 90 13.064 -2.332 5.368 1.00 0.00 N ATOM 1215 CA THR A 90 13.430 -1.478 6.485 1.00 0.00 C ATOM 1216 C THR A 90 12.209 -0.710 6.992 1.00 0.00 C ATOM 1217 O THR A 90 11.878 -0.773 8.174 1.00 0.00 O ATOM 1218 CB THR A 90 14.573 -0.570 6.029 1.00 0.00 C ATOM 1219 OG1 THR A 90 14.881 0.206 7.184 1.00 0.00 O ATOM 1220 CG2 THR A 90 14.126 0.463 4.993 1.00 0.00 C ATOM 0 H THR A 90 13.157 -1.897 4.450 1.00 0.00 H new ATOM 0 HA THR A 90 13.780 -2.065 7.334 1.00 0.00 H new ATOM 0 HB THR A 90 15.374 -1.179 5.609 1.00 0.00 H new ATOM 0 HG1 THR A 90 15.614 0.822 6.978 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.977 1.081 4.705 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.735 -0.049 4.114 1.00 0.00 H new ATOM 0 HG23 THR A 90 13.348 1.095 5.421 1.00 0.00 H new ATOM 1228 N ALA A 91 11.572 0.001 6.072 1.00 0.00 N ATOM 1229 CA ALA A 91 10.395 0.781 6.411 1.00 0.00 C ATOM 1230 C ALA A 91 9.144 -0.077 6.207 1.00 0.00 C ATOM 1231 O ALA A 91 8.980 -0.700 5.162 1.00 0.00 O ATOM 1232 CB ALA A 91 10.368 2.058 5.570 1.00 0.00 C ATOM 0 H ALA A 91 11.850 0.053 5.092 1.00 0.00 H new ATOM 0 HA ALA A 91 10.423 1.081 7.458 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.484 2.643 5.825 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.263 2.646 5.772 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.337 1.796 4.512 1.00 0.00 H new ATOM 1238 N ALA A 92 8.295 -0.078 7.224 1.00 0.00 N ATOM 1239 CA ALA A 92 7.063 -0.847 7.170 1.00 0.00 C ATOM 1240 C ALA A 92 6.183 -0.315 6.038 1.00 0.00 C ATOM 1241 O ALA A 92 5.727 0.826 6.087 1.00 0.00 O ATOM 1242 CB ALA A 92 6.364 -0.790 8.529 1.00 0.00 C ATOM 0 H ALA A 92 8.436 0.442 8.090 1.00 0.00 H new ATOM 0 HA ALA A 92 7.275 -1.895 6.957 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.440 -1.367 8.487 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.019 -1.209 9.293 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.134 0.246 8.777 1.00 0.00 H new ATOM 1248 N CYS A 93 5.972 -1.165 5.044 1.00 0.00 N ATOM 1249 CA CYS A 93 5.153 -0.795 3.902 1.00 0.00 C ATOM 1250 C CYS A 93 3.685 -0.988 4.280 1.00 0.00 C ATOM 1251 O CYS A 93 3.281 -2.077 4.684 1.00 0.00 O ATOM 1252 CB CYS A 93 5.531 -1.593 2.652 1.00 0.00 C ATOM 1253 SG CYS A 93 7.196 -2.353 2.701 1.00 0.00 S ATOM 0 H CYS A 93 6.354 -2.110 5.006 1.00 0.00 H new ATOM 0 HA CYS A 93 5.327 0.251 3.651 1.00 0.00 H new ATOM 0 HB2 CYS A 93 4.792 -2.380 2.503 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.473 -0.934 1.786 1.00 0.00 H new ATOM 1258 N GLN A 94 2.923 0.088 4.137 1.00 0.00 N ATOM 1259 CA GLN A 94 1.507 0.051 4.458 1.00 0.00 C ATOM 1260 C GLN A 94 0.675 -0.066 3.180 1.00 0.00 C ATOM 1261 O GLN A 94 0.790 0.769 2.285 1.00 0.00 O ATOM 1262 CB GLN A 94 1.096 1.280 5.271 1.00 0.00 C ATOM 1263 CG GLN A 94 0.673 2.428 4.352 1.00 0.00 C ATOM 1264 CD GLN A 94 0.669 3.760 5.103 1.00 0.00 C ATOM 1265 OE1 GLN A 94 -0.353 4.239 5.565 1.00 0.00 O ATOM 1266 NE2 GLN A 94 1.867 4.330 5.197 1.00 0.00 N ATOM 0 H GLN A 94 3.261 0.991 3.803 1.00 0.00 H new ATOM 0 HA GLN A 94 1.317 -0.829 5.072 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.274 1.021 5.938 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.927 1.600 5.899 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.353 2.488 3.503 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.321 2.230 3.951 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.682 3.874 4.787 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.971 5.223 5.679 1.00 0.00 H new ATOM 1275 N VAL A 95 -0.143 -1.108 3.136 1.00 0.00 N ATOM 1276 CA VAL A 95 -0.994 -1.343 1.982 1.00 0.00 C ATOM 1277 C VAL A 95 -2.309 -0.580 2.158 1.00 0.00 C ATOM 1278 O VAL A 95 -3.087 -0.879 3.063 1.00 0.00 O ATOM 1279 CB VAL A 95 -1.197 -2.847 1.782 1.00 0.00 C ATOM 1280 CG1 VAL A 95 -2.010 -3.124 0.515 1.00 0.00 C ATOM 1281 CG2 VAL A 95 0.145 -3.581 1.745 1.00 0.00 C ATOM 0 H VAL A 95 -0.234 -1.799 3.881 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.521 -0.967 1.075 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.762 -3.227 2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.141 -4.199 0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.986 -2.647 0.598 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.482 -2.724 -0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.028 -4.648 1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.747 -3.197 0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.673 -3.422 2.685 1.00 0.00 H new ATOM 1291 N GLY A 96 -2.516 0.389 1.280 1.00 0.00 N ATOM 1292 CA GLY A 96 -3.722 1.195 1.328 1.00 0.00 C ATOM 1293 C GLY A 96 -3.935 1.943 0.009 1.00 0.00 C ATOM 1294 O GLY A 96 -3.051 1.963 -0.847 1.00 0.00 O ATOM 0 H GLY A 96 -1.868 0.634 0.531 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.582 0.557 1.531 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.654 1.909 2.148 1.00 0.00 H new ATOM 1298 N LEU A 97 -5.112 2.540 -0.114 1.00 0.00 N ATOM 1299 CA LEU A 97 -5.451 3.286 -1.313 1.00 0.00 C ATOM 1300 C LEU A 97 -5.438 4.784 -0.999 1.00 0.00 C ATOM 1301 O LEU A 97 -5.994 5.214 0.010 1.00 0.00 O ATOM 1302 CB LEU A 97 -6.777 2.792 -1.895 1.00 0.00 C ATOM 1303 CG LEU A 97 -7.868 2.447 -0.879 1.00 0.00 C ATOM 1304 CD1 LEU A 97 -9.242 2.391 -1.546 1.00 0.00 C ATOM 1305 CD2 LEU A 97 -7.537 1.150 -0.138 1.00 0.00 C ATOM 0 H LEU A 97 -5.842 2.522 0.598 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.705 3.116 -2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.164 3.558 -2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.578 1.907 -2.500 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.905 3.243 -0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.998 2.144 -0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.471 3.360 -1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.237 1.629 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.328 0.928 0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.456 0.332 -0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.591 1.264 0.391 1.00 0.00 H new ATOM 1317 N SER A 98 -4.795 5.535 -1.881 1.00 0.00 N ATOM 1318 CA SER A 98 -4.702 6.975 -1.709 1.00 0.00 C ATOM 1319 C SER A 98 -5.679 7.678 -2.652 1.00 0.00 C ATOM 1320 O SER A 98 -6.051 7.130 -3.688 1.00 0.00 O ATOM 1321 CB SER A 98 -3.274 7.467 -1.961 1.00 0.00 C ATOM 1322 OG SER A 98 -2.964 7.516 -3.350 1.00 0.00 O ATOM 0 H SER A 98 -4.334 5.174 -2.716 1.00 0.00 H new ATOM 0 HA SER A 98 -4.965 7.215 -0.679 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.150 8.459 -1.527 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.569 6.808 -1.455 1.00 0.00 H new ATOM 0 HG SER A 98 -2.045 7.836 -3.469 1.00 0.00 H new ATOM 1328 N ASP A 99 -6.070 8.881 -2.257 1.00 0.00 N ATOM 1329 CA ASP A 99 -6.998 9.664 -3.054 1.00 0.00 C ATOM 1330 C ASP A 99 -6.348 10.010 -4.395 1.00 0.00 C ATOM 1331 O ASP A 99 -5.126 9.954 -4.530 1.00 0.00 O ATOM 1332 CB ASP A 99 -7.355 10.977 -2.351 1.00 0.00 C ATOM 1333 CG ASP A 99 -7.271 10.937 -0.825 1.00 0.00 C ATOM 1334 OD1 ASP A 99 -7.281 9.809 -0.285 1.00 0.00 O ATOM 1335 OD2 ASP A 99 -7.198 12.033 -0.231 1.00 0.00 O ATOM 0 H ASP A 99 -5.761 9.332 -1.396 1.00 0.00 H new ATOM 0 HA ASP A 99 -7.902 9.072 -3.197 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -6.690 11.760 -2.716 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.368 11.261 -2.637 1.00 0.00 H new ATOM 1341 N ALA A 100 -7.193 10.361 -5.354 1.00 0.00 N ATOM 1342 CA ALA A 100 -6.715 10.714 -6.681 1.00 0.00 C ATOM 1343 C ALA A 100 -6.144 12.132 -6.650 1.00 0.00 C ATOM 1344 O ALA A 100 -5.628 12.620 -7.656 1.00 0.00 O ATOM 1345 CB ALA A 100 -7.855 10.565 -7.689 1.00 0.00 C ATOM 0 H ALA A 100 -8.205 10.409 -5.239 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.915 10.043 -6.994 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -7.498 10.829 -8.684 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.206 9.533 -7.692 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.676 11.226 -7.411 1.00 0.00 H new ATOM 1351 N ALA A 101 -6.254 12.756 -5.485 1.00 0.00 N ATOM 1352 CA ALA A 101 -5.754 14.109 -5.313 1.00 0.00 C ATOM 1353 C ALA A 101 -4.249 14.062 -5.044 1.00 0.00 C ATOM 1354 O ALA A 101 -3.445 14.161 -5.971 1.00 0.00 O ATOM 1355 CB ALA A 101 -6.526 14.797 -4.185 1.00 0.00 C ATOM 0 H ALA A 101 -6.681 12.350 -4.653 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.908 14.694 -6.220 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -6.152 15.812 -4.055 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.586 14.830 -4.437 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.391 14.239 -3.259 1.00 0.00 H new ATOM 1361 N GLY A 102 -3.911 13.912 -3.772 1.00 0.00 N ATOM 1362 CA GLY A 102 -2.517 13.849 -3.371 1.00 0.00 C ATOM 1363 C GLY A 102 -2.389 13.510 -1.883 1.00 0.00 C ATOM 1364 O GLY A 102 -1.506 14.024 -1.199 1.00 0.00 O ATOM 0 H GLY A 102 -4.579 13.832 -3.006 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -1.998 13.097 -3.965 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -2.033 14.805 -3.573 1.00 0.00 H new ATOM 1368 N ASN A 103 -3.282 12.643 -1.429 1.00 0.00 N ATOM 1369 CA ASN A 103 -3.281 12.229 -0.036 1.00 0.00 C ATOM 1370 C ASN A 103 -3.768 10.782 0.060 1.00 0.00 C ATOM 1371 O ASN A 103 -4.551 10.330 -0.774 1.00 0.00 O ATOM 1372 CB ASN A 103 -4.219 13.101 0.800 1.00 0.00 C ATOM 1373 CG ASN A 103 -4.271 14.530 0.254 1.00 0.00 C ATOM 1374 OD1 ASN A 103 -5.044 14.670 -0.819 1.00 0.00 O flip ATOM 1375 ND2 ASN A 103 -3.650 15.444 0.774 1.00 0.00 N flip ATOM 0 H ASN A 103 -4.011 12.216 -2.001 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.264 12.328 0.345 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.220 12.670 0.798 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.881 13.116 1.836 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.075 15.266 1.597 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.707 16.385 0.385 1.00 0.00 H new ATOM 1382 N GLY A 104 -3.287 10.097 1.087 1.00 0.00 N ATOM 1383 CA GLY A 104 -3.663 8.710 1.305 1.00 0.00 C ATOM 1384 C GLY A 104 -2.935 8.126 2.516 1.00 0.00 C ATOM 1385 O GLY A 104 -2.108 7.228 2.374 1.00 0.00 O ATOM 0 H GLY A 104 -2.640 10.477 1.778 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.740 8.642 1.457 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -3.428 8.123 0.417 1.00 0.00 H new ATOM 1389 N PRO A 105 -3.278 8.677 3.713 1.00 0.00 N ATOM 1390 CA PRO A 105 -2.665 8.220 4.949 1.00 0.00 C ATOM 1391 C PRO A 105 -3.230 6.864 5.372 1.00 0.00 C ATOM 1392 O PRO A 105 -2.851 6.327 6.413 1.00 0.00 O ATOM 1393 CB PRO A 105 -2.948 9.321 5.958 1.00 0.00 C ATOM 1394 CG PRO A 105 -4.098 10.131 5.381 1.00 0.00 C ATOM 1395 CD PRO A 105 -4.253 9.744 3.919 1.00 0.00 C ATOM 0 HA PRO A 105 -1.592 8.053 4.850 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -3.214 8.902 6.929 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -2.068 9.946 6.111 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -5.019 9.930 5.929 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -3.898 11.198 5.474 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.266 9.402 3.705 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -4.057 10.592 3.262 1.00 0.00 H new ATOM 1403 N GLU A 106 -4.125 6.345 4.543 1.00 0.00 N ATOM 1404 CA GLU A 106 -4.745 5.061 4.819 1.00 0.00 C ATOM 1405 C GLU A 106 -3.829 3.921 4.369 1.00 0.00 C ATOM 1406 O GLU A 106 -3.063 4.076 3.419 1.00 0.00 O ATOM 1407 CB GLU A 106 -6.116 4.958 4.147 1.00 0.00 C ATOM 1408 CG GLU A 106 -7.240 5.217 5.154 1.00 0.00 C ATOM 1409 CD GLU A 106 -7.465 3.997 6.050 1.00 0.00 C ATOM 1410 OE1 GLU A 106 -7.126 2.886 5.590 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -7.971 4.206 7.173 1.00 0.00 O ATOM 0 H GLU A 106 -4.435 6.791 3.680 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.896 4.977 5.895 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.180 5.678 3.331 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -6.237 3.968 3.708 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.991 6.083 5.768 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -8.161 5.457 4.623 1.00 0.00 H new ATOM 1419 N GLY A 107 -3.938 2.804 5.071 1.00 0.00 N ATOM 1420 CA GLY A 107 -3.128 1.639 4.757 1.00 0.00 C ATOM 1421 C GLY A 107 -2.659 0.937 6.032 1.00 0.00 C ATOM 1422 O GLY A 107 -2.435 1.583 7.055 1.00 0.00 O ATOM 0 H GLY A 107 -4.576 2.680 5.857 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.705 0.944 4.147 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -2.264 1.941 4.165 1.00 0.00 H new ATOM 1426 N VAL A 108 -2.523 -0.376 5.931 1.00 0.00 N ATOM 1427 CA VAL A 108 -2.084 -1.174 7.063 1.00 0.00 C ATOM 1428 C VAL A 108 -0.622 -1.581 6.859 1.00 0.00 C ATOM 1429 O VAL A 108 -0.263 -2.110 5.808 1.00 0.00 O ATOM 1430 CB VAL A 108 -3.017 -2.371 7.252 1.00 0.00 C ATOM 1431 CG1 VAL A 108 -2.715 -3.470 6.231 1.00 0.00 C ATOM 1432 CG2 VAL A 108 -2.931 -2.912 8.682 1.00 0.00 C ATOM 0 H VAL A 108 -2.709 -0.909 5.081 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.134 -0.592 7.983 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.038 -2.029 7.083 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.393 -4.309 6.388 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.851 -3.078 5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.686 -3.807 6.353 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.604 -3.763 8.790 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.909 -3.229 8.890 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.219 -2.130 9.385 1.00 0.00 H new ATOM 1442 N ALA A 109 0.179 -1.319 7.881 1.00 0.00 N ATOM 1443 CA ALA A 109 1.593 -1.652 7.825 1.00 0.00 C ATOM 1444 C ALA A 109 1.754 -3.173 7.800 1.00 0.00 C ATOM 1445 O ALA A 109 1.846 -3.810 8.848 1.00 0.00 O ATOM 1446 CB ALA A 109 2.312 -1.010 9.014 1.00 0.00 C ATOM 0 H ALA A 109 -0.123 -0.881 8.751 1.00 0.00 H new ATOM 0 HA ALA A 109 2.046 -1.258 6.915 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.373 -1.258 8.975 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.191 0.072 8.971 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.885 -1.387 9.944 1.00 0.00 H new ATOM 1452 N ILE A 110 1.783 -3.711 6.590 1.00 0.00 N ATOM 1453 CA ILE A 110 1.932 -5.146 6.412 1.00 0.00 C ATOM 1454 C ILE A 110 3.411 -5.521 6.539 1.00 0.00 C ATOM 1455 O ILE A 110 4.286 -4.670 6.386 1.00 0.00 O ATOM 1456 CB ILE A 110 1.295 -5.591 5.095 1.00 0.00 C ATOM 1457 CG1 ILE A 110 0.450 -6.852 5.291 1.00 0.00 C ATOM 1458 CG2 ILE A 110 2.358 -5.780 4.009 1.00 0.00 C ATOM 1459 CD1 ILE A 110 -0.673 -6.604 6.301 1.00 0.00 C ATOM 0 H ILE A 110 1.706 -3.179 5.723 1.00 0.00 H new ATOM 0 HA ILE A 110 1.398 -5.685 7.195 1.00 0.00 H new ATOM 0 HB ILE A 110 0.623 -4.802 4.758 1.00 0.00 H new ATOM 0 HG12 ILE A 110 0.024 -7.162 4.336 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.083 -7.669 5.638 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.879 -6.097 3.082 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.881 -4.838 3.844 1.00 0.00 H new ATOM 0 HG23 ILE A 110 3.072 -6.540 4.327 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.260 -7.514 6.424 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -0.243 -6.318 7.261 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.318 -5.803 5.939 1.00 0.00 H new ATOM 1471 N SER A 111 3.642 -6.794 6.818 1.00 0.00 N ATOM 1472 CA SER A 111 4.999 -7.293 6.968 1.00 0.00 C ATOM 1473 C SER A 111 4.977 -8.692 7.589 1.00 0.00 C ATOM 1474 O SER A 111 5.252 -9.680 6.910 1.00 0.00 O ATOM 1475 CB SER A 111 5.843 -6.346 7.822 1.00 0.00 C ATOM 1476 OG SER A 111 5.120 -5.859 8.952 1.00 0.00 O ATOM 0 H SER A 111 2.913 -7.496 6.944 1.00 0.00 H new ATOM 0 HA SER A 111 5.454 -7.349 5.979 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.739 -6.865 8.161 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.173 -5.505 7.213 1.00 0.00 H new ATOM 0 HG SER A 111 5.693 -5.259 9.473 1.00 0.00 H new